2-azanyl-5-[[4-azanyl-9,10-bis(oxidanylidene)-3,7-disulfo-anthracen-1-yl]amino]benzoic acid

Systemtic Name: 2-azanyl-5-[[4-azanyl-9,10-bis(oxidanylidene)-3,7-disulfo-anthracen-1-yl]amino]benzoic acid Openeye Name: 2-amino-5-[(4-amino-9,10-dioxo-3,7-disulfo-1-anthryl)amino]benzoic acid CAS Name: 2-amino-5-[(4-amino-9,10-dioxo-3,7-disulfo-1-anthracenyl)amino]benzoic acid IUPAC Name: 2-amino-5-[(4-amino-9,10-dioxo-3,7-disulfoanthracen-1-yl)amino]benzoic acid Traditional Name: 2-amino-5-[(4-amino-9,10-diketo-3,7-disulfo-1-anthryl)amino]benzoic acid Formula: C21H15N3O10S2 MolecularWeight: 533.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)C(=O)O)N

InChI

InChI=1S/C21H15N3O10S2/c22-13-4-1-8(5-12(13)21(27)28)24-14-7-15(36(32,33)34)18(23)17-16(14)20(26)11-6-9(35(29,30)31)2-3-10(11)19(17)25/h1-7,24H,22-23H2,(H,27,28)(H,29,30,31)(H,32,33,34)