sodium 4-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanyl-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 4-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanyl-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 4-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-3-hydroxy-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 4-[(4-dimethylaminophenyl)-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]-3-hydroxy-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 4-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-hydroxy-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 4-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-3-hydroxy-7-sulfo-naphthalene-2-sulfonate Formula: C27H26N2NaO7S2+ MolecularWeight: 577.62431

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C27H26N2O7S2.Na/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);/q;+1