2-[[4,5-dimethoxy-9,10-bis(oxidanylidene)anthracen-2-yl]methyl]benzenecarbothioic S-acid

Systemtic Name: 2-[[4,5-dimethoxy-9,10-bis(oxidanylidene)anthracen-2-yl]methyl]benzenecarbothioic S-acid Openeye Name: 2-[(4,5-dimethoxy-9,10-dioxo-2-anthryl)methyl]benzenecarbothioic S-acid CAS Name: 2-[(4,5-dimethoxy-9,10-dioxo-2-anthracenyl)methyl]benzenecarbothioic S-acid IUPAC Name: 2-[(4,5-dimethoxy-9,10-dioxoanthracen-2-yl)methyl]benzenecarbothioic S-acid Traditional Name: 2-[(9,10-diketo-4,5-dimethoxy-2-anthryl)methyl]thiobenzoic acid Formula: C24H18O5S MolecularWeight: 418.46172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CC4=CC=CC=C4C(=O)S)OC

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CC4=CC=CC=C4C(=O)S)OC

InChI

InChI=1S/C24H18O5S/c1-28-18-9-5-8-16-20(18)23(26)21-17(22(16)25)11-13(12-19(21)29-2)10-14-6-3-4-7-15(14)24(27)30/h3-9,11-12H,10H2,1-2H3,(H,27,30)