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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)/p+1