AG000XNS

128-59-6 | Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dihydroxy-

AG000XNS

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CAS Number	128-59-6
Catalog Number	AG000XNS(AGN-PC-0LQB3J)
Chemical Name	Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dihydroxy-
EC Number	204-897-1
IUPAC Name	30,34-dihydroxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
InChI	InChI=1S/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H
InChI Key	MGYICCKROPVHMA-UHFFFAOYSA-N
MDL Number	MFCD00034580
Molecular Formula	C34H16O4
Molecular Weight	488.4884
NSC Number	23126
SMILES	OC1=C2C3=C(O)C=C4C5=C(C=CC=C5)C(=O)C5=C4C3=C(C=C5)C3=C2C2=C(C=C3)C(=O)C3=C(C=CC=C3)C2=C1
UNII	GA294C8LU4
Synonyms	16,17-dihydroxyviolanthrone, oxybenzone (dye), 128-59-6, 16,17-Dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-Dihydroxyviolanthrone, Dihydroxydibenzanthrone, 16,17-Dihydroxydibenzanthrone, Dihydroxyviolanthron, 16,17-Dihydroxyviolanthrene-5,10-dione, Violanthrone, dihydroxy-, Dihydroxyviolanthron [Czech], UNII-GA294C8LU4, Violanthrone, 16,17-dihydroxy-, EINECS 204-897-1, NSC 23126, BRN 2030453, GA294C8LU4, Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dihydroxy-, Dihydro-dinaphthol(1,2,3-cd:3',2',1'-im)perylene-5,10-dione, Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 16,17-dihydroxy-, W-108372, 16,17-Dihydroxyanthra[9,1,2-cde]-benzo[rst]pentaphene-5,10-dione, Dinaphtho(1,2,3-cd:3',2',1'-lm)perylene-5,10-dione, 16,17-dihydroxy-, Dinaphtho(1,3-cd:3',2',1'-lm)perylene-5,10-dione, 16,17-dihydroxy-, Dinaphtho[1,3-cd:3',2',1'-lm]perylene-5,10-dione, 16,17-dihydroxy-, C34H16O4, dihydroxy-violanthron, PubChem23323, Violanthrone,17-dihydroxy-, SCHEMBL78662, 16,17-dihydroxy-violanthron, 16 17-dihydroxydibenzanthrone, CHEMBL136987, DTXSID6059574, CTK8C4534, NSC23126, ZINC4429711, ANW-72289, BBL103040, CD-909, MFCD00034580, NSC-23126, STL556849, AKOS015914261, ZINC-04429711, DS-2619, AJ-51119, AK-44698, AN-23023, CJ-12045, LS-62045, Violanthrone, 16,17-dihydroxy- (8CI), AB1008564, AX8125088, ST2408884, TC-161034, 4CH-016247, FT-0607247, X4827, 128D596, C-45919, I14-45113, 1,2-cde]benzo[rst]pentaphene-5,10-dione,16,17-dihydroxy-anthra[, WLN: L6 G666 R6 B6 V6 E&6 U6 4ABVW K& MV K&VJ DQ B&Q, 2,3-cd:3 inverted exclamation mark ,2 inverted exclamation mark ,1 inverted exclamation mark -lm)perylene-5,10-dione,16,17-dihydroxy-dinaphtho(, 30,34-dihydroxynonacyclo[18.10.2.2^{2,5}.0^{3,16}.0^{4,13}.0^{6,11}.0^{17,31}.0^{22,27}.0^{28,32}]tetratriaconta-1(30),2,4,6(11),7,9,13,15,17,19,22,24,26,28,31,33-hexadecaene-12,21-dione, null, Dihydroxyviolanthrone, C34-H16-O4, CID5354980, 4-08-00-03338 (Beilstein Handbook Reference),

Complexity	942
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	488.105g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	488.498g/mol
Monoisotopic Mass	488.105g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number