sodium 4-[dodecyl-(3-methylphenyl)amino]butane-1-sulfonate

Systemtic Name: sodium 4-[dodecyl-(3-methylphenyl)amino]butane-1-sulfonate Openeye Name: sodium 4-(N-dodecyl-3-methyl-anilino)butane-1-sulfonate CAS Name: sodium 4-(N-dodecyl-3-methylanilino)-1-butanesulfonate IUPAC Name: sodium 4-(N-dodecyl-3-methylanilino)butane-1-sulfonate Traditional Name: sodium 4-(N-lauryl-3-methyl-anilino)butane-1-sulfonate Formula: C23H40NNaO3S MolecularWeight: 433.62337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCS(=O)(=O)[O-])C1=CC=CC(=C1)C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCN(CCCCS(=O)(=O)[O-])C1=CC=CC(=C1)C.[Na+]

InChI

InChI=1S/C23H41NO3S.Na/c1-3-4-5-6-7-8-9-10-11-12-18-24(19-13-14-20-28(25,26)27)23-17-15-16-22(2)21-23;/h15-17,21H,3-14,18-20H2,1-2H3,(H,25,26,27);/q;+1/p-1