sodium 4-[[4-[ethyl-(phenylmethyl)amino]phenyl]-[4-[ethyl-(phenylmethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate

Systemtic Name: sodium 4-[[4-[ethyl-(phenylmethyl)amino]phenyl]-[4-[ethyl-(phenylmethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate Openeye Name: sodium 4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[benzyl(ethyl)iminio]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate CAS Name: sodium 4-[[4-[ethyl-(phenylmethyl)amino]phenyl]-[4-[ethyl-(phenylmethyl)iminio]-1-cyclohexa-2,5-dienylidene]methyl]benzene-1,3-disulfonate IUPAC Name: sodium 4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[benzyl(ethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate Traditional Name: sodium 4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[benzyl(ethyl)iminio]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate Formula: C37H35N2NaO6S2 MolecularWeight: 690.80337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1