sodium 4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]benzenesulfonate

Systemtic Name: sodium 4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]benzenesulfonate Openeye Name: sodium 4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]benzenesulfonate CAS Name: sodium 4-[bis(4-dimethylaminophenyl)-hydroxymethyl]benzenesulfonate IUPAC Name: sodium 4-[bis(4-dimethylaminophenyl)-hydroxymethyl]benzenesulfonate Traditional Name: sodium 4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]besylate Formula: C23H25N2NaO4S MolecularWeight: 448.51037

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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)S(=O)(=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)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C23H26N2O4S.Na/c1-24(2)20-11-5-17(6-12-20)23(26,18-7-13-21(14-8-18)25(3)4)19-9-15-22(16-10-19)30(27,28)29;/h5-16,26H,1-4H3,(H,27,28,29);/q;+1/p-1