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

Systemtic Name: 4-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfo-naphthalene-2-sulfonate Openeye Name: 4-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfo-naphthalene-2-sulfonate CAS Name: 4-[(4-dimethylaminophenyl)-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]-7-sulfo-2-naphthalenesulfonate IUPAC Name: 4-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfonaphthalene-2-sulfonate Traditional Name: 4-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfo-naphthalene-2-sulfonate Formula: C27H26N2O6S2 MolecularWeight: 538.63514

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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(=C3)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(=C3)S(=O)(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C27H26N2O6S2/c1-28(2)21-9-5-18(6-10-21)27(19-7-11-22(12-8-19)29(3)4)26-17-24(37(33,34)35)16-20-15-23(36(30,31)32)13-14-25(20)26/h5-17H,1-4H3,(H-,30,31,32,33,34,35)