5-[bis(4-dimethylaminophenyl)methylidene]-6-oxidanylidene-4-sulfo-naphthalene-2-carboxylic acid

Systemtic Name: 5-[bis(4-dimethylaminophenyl)methylidene]-6-oxidanylidene-4-sulfo-naphthalene-2-carboxylic acid Openeye Name: 5-[bis(4-dimethylaminophenyl)methylene]-6-oxo-4-sulfo-naphthalene-2-carboxylic acid CAS Name: 5-[bis(4-dimethylaminophenyl)methylidene]-6-oxo-4-sulfo-2-naphthalenecarboxylic acid IUPAC Name: 5-[bis(4-dimethylaminophenyl)methylidene]-6-oxo-4-sulfonaphthalene-2-carboxylic acid Traditional Name: 5-[bis(4-dimethylaminophenyl)methylene]-6-keto-4-sulfo-2-naphthoic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

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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

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

InChI

InChI=1S/C28H26N2O6S/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)