4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]benzenesulfonic acid; sodium

Systemtic Name: 4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]benzenesulfonic acid; sodium Openeye Name: 4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]benzenesulfonic acid; sodium CAS Name: 4-[bis(4-dimethylaminophenyl)-hydroxymethyl]benzenesulfonic acid; sodium IUPAC Name: 4-[bis(4-dimethylaminophenyl)-hydroxymethyl]benzenesulfonic acid; sodium Traditional Name: 4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]besylic acid; sodium Formula: C23H26N2NaO4S MolecularWeight: 449.51831

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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);