4-[[[8-[(4-azanyl-2-sulfo-phenyl)amino]-10-(3-sulfophenyl)phenazin-10-ium-2-yl]-ethyl-amino]methyl]benzenesulfonate

Systemtic Name: 4-[[[8-[(4-azanyl-2-sulfo-phenyl)amino]-10-(3-sulfophenyl)phenazin-10-ium-2-yl]-ethyl-amino]methyl]benzenesulfonate Openeye Name: 4-[[[8-(4-amino-2-sulfo-anilino)-10-(3-sulfophenyl)phenazin-10-ium-2-yl]-ethyl-amino]methyl]benzenesulfonate CAS Name: 4-[[[8-(4-amino-2-sulfoanilino)-10-(3-sulfophenyl)-2-phenazin-10-iumyl]-ethylamino]methyl]benzenesulfonate IUPAC Name: 4-[[[8-(4-amino-2-sulfoanilino)-10-(3-sulfophenyl)phenazin-10-ium-2-yl]-ethylamino]methyl]benzenesulfonate Traditional Name: 4-[[[8-(4-amino-2-sulfo-anilino)-10-(3-sulfophenyl)phenazin-10-ium-2-yl]-ethyl-amino]methyl]besylate Formula: C33H29N5O9S3 MolecularWeight: 735.80646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)S(=O)(=O)[O-])C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)N)S(=O)(=O)O)N=C3C=C2)C6=CC(=CC=C6)S(=O)(=O)O

Isomeric SMILES

CCN(CC1=CC=C(C=C1)S(=O)(=O)[O-])C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)N)S(=O)(=O)O)N=C3C=C2)C6=CC(=CC=C6)S(=O)(=O)O

InChI

InChI=1S/C33H29N5O9S3/c1-2-37(20-21-6-11-26(12-7-21)48(39,40)41)24-10-15-29-32(19-24)38(25-4-3-5-27(18-25)49(42,43)44)31-17-23(9-14-28(31)36-29)35-30-13-8-22(34)16-33(30)50(45,46)47/h3-19H,2,20H2,1H3,(H5,34,36,39,40,41,42,43,44,45,46,47)