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

Systemtic Name: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methyl-phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium Openeye Name: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methyl-phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium CAS Name: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium IUPAC Name: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium Traditional Name: [4-[bis[4-[ethyl-(3-sulfobenzyl)amino]-2-methyl-phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium Formula: C43H50N3O6S2+ MolecularWeight: 769.0036

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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+](CC)CC)C=C3)C4=C(C=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C43H49N3O6S2/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52)/p+1