2-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]benzoic acid Openeye Name: 2-[(9,10-dioxo-2-anthryl)sulfonyl-methyl-amino]benzoic acid CAS Name: 2-[(9,10-dioxo-2-anthracenyl)sulfonyl-methylamino]benzoic acid IUPAC Name: 2-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]benzoic acid Traditional Name: 2-[(9,10-diketo-2-anthryl)sulfonyl-methyl-amino]benzoic acid Formula: C22H15NO6S MolecularWeight: 421.4226

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H15NO6S/c1-23(19-9-5-4-8-17(19)22(26)27)30(28,29)13-10-11-16-18(12-13)21(25)15-7-3-2-6-14(15)20(16)24/h2-12H,1H3,(H,26,27)