sodium 5-[bis(4-dimethylaminophenyl)methyl]-2-methoxy-benzenesulfonate

Systemtic Name: sodium 5-[bis(4-dimethylaminophenyl)methyl]-2-methoxy-benzenesulfonate Openeye Name: sodium 5-[bis(4-dimethylaminophenyl)methyl]-2-methoxy-benzenesulfonate CAS Name: sodium 5-[bis(4-dimethylaminophenyl)methyl]-2-methoxybenzenesulfonate IUPAC Name: sodium 5-[bis(4-dimethylaminophenyl)methyl]-2-methoxybenzenesulfonate Traditional Name: sodium 5-[bis(4-dimethylaminophenyl)methyl]-2-methoxy-besylate Formula: C24H27N2NaO4S MolecularWeight: 462.53695

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=C(C=C3)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=C(C=C3)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H28N2O4S.Na/c1-25(2)20-11-6-17(7-12-20)24(18-8-13-21(14-9-18)26(3)4)19-10-15-22(30-5)23(16-19)31(27,28)29;/h6-16,24H,1-5H3,(H,27,28,29);/q;+1/p-1