2-bromanyl-5-[[4-[(4-bromanyl-3-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate

Systemtic Name: 2-bromanyl-5-[[4-[(4-bromanyl-3-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate Openeye Name: 2-bromo-5-[[4-(4-bromo-3-sulfonato-anilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonate CAS Name: 2-bromo-5-[[4-(4-bromo-3-sulfonatoanilino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate IUPAC Name: 2-bromo-5-[[4-(4-bromo-3-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate Traditional Name: 2-bromo-5-[[4-(4-bromo-3-sulfonato-anilino)-9,10-diketo-1-anthryl]amino]besylate Formula: C26H14Br2N2O8S2-2 MolecularWeight: 706.33596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC(=C(C=C4)Br)S(=O)(=O)[O-])NC5=CC(=C(C=C5)Br)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC(=C(C=C4)Br)S(=O)(=O)[O-])NC5=CC(=C(C=C5)Br)S(=O)(=O)[O-]

InChI

InChI=1S/C26H16Br2N2O8S2/c27-17-7-5-13(11-21(17)39(33,34)35)29-19-9-10-20(30-14-6-8-18(28)22(12-14)40(36,37)38)24-23(19)25(31)15-3-1-2-4-16(15)26(24)32/h1-12,29-30H,(H,33,34,35)(H,36,37,38)/p-2