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

Systemtic Name: 2-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]-5-bromanyl-benzoic acid Openeye Name: 2-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]-5-bromo-benzoic acid CAS Name: 2-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-5-bromobenzoic acid IUPAC Name: 2-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-5-bromobenzoic acid Traditional Name: 2-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]-5-bromo-benzoic acid Formula: C21H13BrN2O7S MolecularWeight: 517.30612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrN2O7S/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)