2-[5-(2-carboxyphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylbenzoic acid

Systemtic Name: 2-[5-(2-carboxyphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylbenzoic acid Openeye Name: 2-[[5-(2-carboxyphenyl)sulfanyl-9,10-dioxo-1-anthryl]sulfanyl]benzoic acid CAS Name: 2-[[5-[(2-carboxyphenyl)thio]-9,10-dioxo-1-anthracenyl]thio]benzoic acid IUPAC Name: 2-[5-(2-carboxyphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylbenzoic acid Traditional Name: 2-[[5-[(2-carboxyphenyl)thio]-9,10-diketo-1-anthryl]thio]benzoic acid Formula: C28H16O6S2 MolecularWeight: 512.55304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C28H16O6S2/c29-25-18-10-6-14-22(36-20-12-4-2-8-16(20)28(33)34)24(18)26(30)17-9-5-13-21(23(17)25)35-19-11-3-1-7-15(19)27(31)32/h1-14H,(H,31,32)(H,33,34)