[4-[(2,4-disulfophenyl)-[4-[ethyl-(phenylmethyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-(phenylmethyl)azanium

Systemtic Name: [4-[(2,4-disulfophenyl)-[4-[ethyl-(phenylmethyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-ethyl-ammonium CAS Name: [4-[(2,4-disulfophenyl)-[4-[ethyl-(phenylmethyl)amino]phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium Traditional Name: benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-ethyl-ammonium Formula: C37H37N2O6S2+ MolecularWeight: 669.82948

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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

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

InChI

InChI=1S/C37H36N2O6S2/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)/p+1