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

Systemtic Name: 4-[[4-[(4-methyl-2-oxidanylidene-chromen-7-yl)disulfanyl]phenyl]carbothioylamino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-4-[[4-[(4-methyl-2-oxo-chromen-7-yl)disulfanyl]benzenecarbothioyl]amino]benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-4-[[[4-[(4-methyl-2-oxo-1-benzopyran-7-yl)disulfanyl]phenyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-4-[[4-[(4-methyl-2-oxochromen-7-yl)disulfanyl]benzenecarbothioyl]amino]benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-4-[[4-[(2-keto-4-methyl-chromen-7-yl)disulfanyl]thiobenzoyl]amino]benzoic acid Formula: C37H23NO7S3 MolecularWeight: 689.77602

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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(=O)C=C6OC7=C5C=CC(=C7)O

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(=O)C=C6OC7=C5C=CC(=C7)O

InChI

InChI=1S/C37H23NO7S3/c1-19-14-34(41)45-33-18-25(9-13-26(19)33)48-47-24-7-2-20(3-8-24)36(46)38-21-4-10-27(37(42)43)30(15-21)35-28-11-5-22(39)16-31(28)44-32-17-23(40)6-12-29(32)35/h2-18,39H,1H3,(H,38,46)(H,42,43)