sodium [[4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]azaniumylidene]-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]-3-methyl-phenyl]-ethyl-amino]-phenyl-methanesulfonate

Systemtic Name: sodium [[4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]azaniumylidene]-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]-3-methyl-phenyl]-ethyl-amino]-phenyl-methanesulfonate Openeye Name: sodium [4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]iminio]-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methyl-anilino]-phenyl-methanesulfonate CAS Name: sodium [4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]iminio]-2-methyl-1-cyclohexa-2,5-dienylidene]methyl]-N-ethyl-3-methylanilino]-phenylmethanesulfonate IUPAC Name: sodium [4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]-phenylmethanesulfonate Traditional Name: sodium [4-[(Z)-(2-chlorophenyl)-[(4E)-4-[ethyl-[phenyl(sulfonato)methyl]iminio]-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methyl-anilino]-phenyl-methanesulfonate Formula: C39H38ClN2NaO6S2 MolecularWeight: 753.30159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C=C1)C(=C2C=CC(=[N+](CC)C(C3=CC=CC=C3)S(=O)(=O)[O-])C=C2C)C4=CC=CC=C4Cl)C)C(C5=CC=CC=C5)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCN(C1=CC(=C(C=C1)/C(=C/2\C=C/C(=[N+](/CC)\C(C3=CC=CC=C3)S(=O)(=O)[O-])/C=C2C)/C4=CC=CC=C4Cl)C)C(C5=CC=CC=C5)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C39H39ClN2O6S2.Na/c1-5-41(38(49(43,44)45)29-15-9-7-10-16-29)31-21-23-33(27(3)25-31)37(35-19-13-14-20-36(35)40)34-24-22-32(26-28(34)4)42(6-2)39(50(46,47)48)30-17-11-8-12-18-30;/h7-26,38-39H,5-6H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1