[4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium

Systemtic Name: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium Openeye Name: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium CAS Name: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium IUPAC Name: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium Traditional Name: [4-[bis[4-[ethyl-(3-sulfobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium Formula: C39H42N3O6S2+ MolecularWeight: 712.89728

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)O

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C39H41N3O6S2/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48)/p+1