2-[[9,10-bis(oxidanylidene)-4-phenylsulfanyl-anthracen-1-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[9,10-bis(oxidanylidene)-4-phenylsulfanyl-anthracen-1-yl]carbamoyl]benzoic acid Openeye Name: 2-[(9,10-dioxo-4-phenylsulfanyl-1-anthryl)carbamoyl]benzoic acid CAS Name: 2-[[[9,10-dioxo-4-(phenylthio)-1-anthracenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(9,10-dioxo-4-phenylsulfanylanthracen-1-yl)carbamoyl]benzoic acid Traditional Name: 2-[[9,10-diketo-4-(phenylthio)-1-anthryl]carbamoyl]benzoic acid Formula: C28H17NO5S MolecularWeight: 479.50328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4C(=O)O)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4C(=O)O)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C28H17NO5S/c30-25-17-10-4-5-11-18(17)26(31)24-22(35-16-8-2-1-3-9-16)15-14-21(23(24)25)29-27(32)19-12-6-7-13-20(19)28(33)34/h1-15H,(H,29,32)(H,33,34)