[4-[(4-dimethylaminophenyl)-(5-oxidanyl-2,4-disulfo-phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium

Systemtic Name: [4-[(4-dimethylaminophenyl)-(5-oxidanyl-2,4-disulfo-phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium Openeye Name: [4-[(4-dimethylaminophenyl)-(5-hydroxy-2,4-disulfo-phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium CAS Name: [4-[(4-dimethylaminophenyl)-(5-hydroxy-2,4-disulfophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium IUPAC Name: [4-[(4-dimethylaminophenyl)-(5-hydroxy-2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium Traditional Name: [4-[(4-dimethylaminophenyl)-(5-hydroxy-2,4-disulfo-phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium Formula: C23H25N2O7S2+ MolecularWeight: 505.5838

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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=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C23H24N2O7S2/c1-24(2)17-9-5-15(6-10-17)23(16-7-11-18(12-8-16)25(3)4)19-13-20(26)22(34(30,31)32)14-21(19)33(27,28)29/h5-14H,1-4H3,(H2-,26,27,28,29,30,31,32)/p+1