sodium 4-[[[4-[(2-chlorophenyl)-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]-ethyl-amino]methyl]benzenesulfonate

Systemtic Name: sodium 4-[[[4-[(2-chlorophenyl)-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]-ethyl-amino]methyl]benzenesulfonate Openeye Name: sodium 4-[[4-[(2-chlorophenyl)-[4-[ethyl-[(4-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-anilino]methyl]benzenesulfonate CAS Name: sodium 4-[[4-[(2-chlorophenyl)-[4-[ethyl-[(4-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate IUPAC Name: sodium 4-[[4-[(2-chlorophenyl)-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate Traditional Name: sodium 4-[[4-[(2-chlorophenyl)-[4-[ethyl-(4-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-anilino]methyl]besylate Formula: C37H34ClN2NaO6S2 MolecularWeight: 725.24843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5Cl.[Na+]

Isomeric SMILES

CCN(CC1=CC=C(C=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5Cl.[Na+]

InChI

InChI=1S/C37H35ClN2O6S2.Na/c1-3-39(25-27-9-21-33(22-10-27)47(41,42)43)31-17-13-29(14-18-31)37(35-7-5-6-8-36(35)38)30-15-19-32(20-16-30)40(4-2)26-28-11-23-34(24-12-28)48(44,45)46;/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46);/q;+1/p-1