5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]-2-hydroxy-benzoic acid CAS Name: 5-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]-2-hydroxy-benzoic acid Formula: C21H14N2O8S MolecularWeight: 454.40946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)O)C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)O)C(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C21H14N2O8S/c22-18-15(32(29,30)31)8-13(23-9-5-6-14(24)12(7-9)21(27)28)16-17(18)20(26)11-4-2-1-3-10(11)19(16)25/h1-8,23-24H,22H2,(H,27,28)(H,29,30,31)