(4-dimethylaminophenyl)methyl-methyl-[4-[(2-oxidanyl-3,6-disulfo-naphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-methyl-[4-[(2-oxidanyl-3,6-disulfo-naphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[4-[(2-hydroxy-3,6-disulfo-1-naphthyl)methylene]cyclohexa-2,5-dien-1-ylidene]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[4-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-methylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium Traditional Name: [4-(dimethylamino)benzyl]-[4-[(2-hydroxy-3,6-disulfo-1-naphthyl)methylene]cyclohexa-2,5-dien-1-ylidene]-methyl-ammonium Formula: C27H27N2O7S2+ MolecularWeight: 555.64248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C[N+](=C2C=CC(=CC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)C=C2)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[N+](=C2C=CC(=CC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)C=C2)C

InChI

InChI=1S/C27H26N2O7S2/c1-28(2)21-8-6-19(7-9-21)17-29(3)22-10-4-18(5-11-22)14-25-24-13-12-23(37(31,32)33)15-20(24)16-26(27(25)30)38(34,35)36/h4-16H,17H2,1-3H3,(H2,31,32,33,34,35,36)/p+1