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

Systemtic Name: 2-[9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylbenzoic acid Openeye Name: 2-[(9,10-dioxo-1-anthryl)sulfanyl]benzoic acid CAS Name: 2-[(9,10-dioxo-1-anthracenyl)thio]benzoic acid IUPAC Name: 2-(9,10-dioxoanthracen-1-yl)sulfanylbenzoic acid Traditional Name: 2-[(9,10-diketo-1-anthryl)thio]benzoic acid Formula: C21H12O4S MolecularWeight: 360.38258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H12O4S/c22-19-12-6-1-2-7-13(12)20(23)18-15(19)9-5-11-17(18)26-16-10-4-3-8-14(16)21(24)25/h1-11H,(H,24,25)