2-azanyl-5-[[4-azanyl-9,10-bis(oxidanylidene)-3,8-disulfo-anthracen-1-yl]amino]benzoic acid

Systemtic Name: 2-azanyl-5-[[4-azanyl-9,10-bis(oxidanylidene)-3,8-disulfo-anthracen-1-yl]amino]benzoic acid Openeye Name: 2-amino-5-[(4-amino-9,10-dioxo-3,8-disulfo-1-anthryl)amino]benzoic acid CAS Name: 2-amino-5-[(4-amino-9,10-dioxo-3,8-disulfo-1-anthracenyl)amino]benzoic acid IUPAC Name: 2-amino-5-[(4-amino-9,10-dioxo-3,8-disulfoanthracen-1-yl)amino]benzoic acid Traditional Name: 2-amino-5-[(4-amino-9,10-diketo-3,8-disulfo-1-anthryl)amino]benzoic acid Formula: C21H15N3O10S2 MolecularWeight: 533.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)C(=O)O)S(=O)(=O)O)N

InChI

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