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

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

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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=C2)C4=CC=CC=C4)C(C5=CC=CC=C5)S(=O)(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)C(C3=CC=CC=C3)S(=O)(=O)O)C=C2)C4=CC=CC=C4)C(C5=CC=CC=C5)S(=O)(=O)O

InChI

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