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

Systemtic Name: 5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]-2-(methylamino)benzoic acid Openeye Name: 5-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]-2-(methylamino)benzoic acid CAS Name: 5-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-(methylamino)benzoic acid IUPAC Name: 5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-2-(methylamino)benzoic acid Traditional Name: 5-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]-2-(methylamino)benzoic acid Formula: C22H17N3O7S MolecularWeight: 467.45128

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CNC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C22H17N3O7S/c1-24-14-7-6-10(8-13(14)22(28)29)25-15-9-16(33(30,31)32)19(23)18-17(15)20(26)11-4-2-3-5-12(11)21(18)27/h2-9,24-25H,23H2,1H3,(H,28,29)(H,30,31,32)