sodium 8-[bis(4-dimethylaminophenyl)methylidene]-3-carboxy-7-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: sodium 8-[bis(4-dimethylaminophenyl)methylidene]-3-carboxy-7-oxidanylidene-naphthalene-1-sulfonate Openeye Name: sodium 8-[bis(4-dimethylaminophenyl)methylene]-3-carboxy-7-oxo-naphthalene-1-sulfonate CAS Name: sodium 8-[bis(4-dimethylaminophenyl)methylidene]-3-carboxy-7-oxo-1-naphthalenesulfonate IUPAC Name: sodium 8-[bis(4-dimethylaminophenyl)methylidene]-3-carboxy-7-oxonaphthalene-1-sulfonate Traditional Name: sodium 8-[bis(4-dimethylaminophenyl)methylene]-3-carboxy-7-keto-naphthalene-1-sulfonate Formula: C28H25N2NaO6S MolecularWeight: 540.56267

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])C(=O)O)C4=CC=C(C=C4)N(C)C.[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])C(=O)O)C4=CC=C(C=C4)N(C)C.[Na+]

InChI

InChI=1S/C28H26N2O6S.Na/c1-29(2)21-10-5-17(6-11-21)25(18-7-12-22(13-8-18)30(3)4)27-23(31)14-9-19-15-20(28(32)33)16-24(26(19)27)37(34,35)36;/h5-16H,1-4H3,(H,32,33)(H,34,35,36);/q;+1/p-1