4-[[4-[(4-methyl-2-oxidanylidene-chromen-7-yl)disulfanyl]phenyl]carbothioylamino]-2-(3-sulfanyl-6-sulfanylidene-thioxanthen-9-yl)benzoic acid

Systemtic Name: 4-[[4-[(4-methyl-2-oxidanylidene-chromen-7-yl)disulfanyl]phenyl]carbothioylamino]-2-(3-sulfanyl-6-sulfanylidene-thioxanthen-9-yl)benzoic acid Openeye Name: 4-[[4-[(4-methyl-2-oxo-chromen-7-yl)disulfanyl]benzenecarbothioyl]amino]-2-(3-sulfanyl-6-thioxo-thioxanthen-9-yl)benzoic acid CAS Name: 2-(3-mercapto-6-sulfanylidene-9-thioxanthenyl)-4-[[[4-[(4-methyl-2-oxo-1-benzopyran-7-yl)disulfanyl]phenyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[4-[(4-methyl-2-oxochromen-7-yl)disulfanyl]benzenecarbothioyl]amino]-2-(3-sulfanyl-6-sulfanylidenethioxanthen-9-yl)benzoic acid Traditional Name: 4-[[4-[(2-keto-4-methyl-chromen-7-yl)disulfanyl]thiobenzoyl]amino]-2-(3-mercapto-6-thioxo-thioxanthen-9-yl)benzoic acid Formula: C37H23NO4S6 MolecularWeight: 737.97282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)SSC3=CC=C(C=C3)C(=S)NC4=CC(=C(C=C4)C(=O)O)C5=C6C=CC(=S)C=C6SC7=C5C=CC(=C7)S

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)SSC3=CC=C(C=C3)C(=S)NC4=CC(=C(C=C4)C(=O)O)C5=C6C=CC(=S)C=C6SC7=C5C=CC(=C7)S

InChI

InChI=1S/C37H23NO4S6/c1-19-14-34(39)42-31-18-25(9-13-26(19)31)48-47-24-7-2-20(3-8-24)36(45)38-21-4-10-27(37(40)41)30(15-21)35-28-11-5-22(43)16-32(28)46-33-17-23(44)6-12-29(33)35/h2-18,43H,1H3,(H,38,45)(H,40,41)