sodium [(4-carboxyphenyl)-hexadecyl-amino]methanesulfonate

Systemtic Name: sodium [(4-carboxyphenyl)-hexadecyl-amino]methanesulfonate Openeye Name: sodium (4-carboxy-N-hexadecyl-anilino)methanesulfonate CAS Name: sodium (4-carboxy-N-hexadecylanilino)methanesulfonate IUPAC Name: sodium (4-carboxy-N-hexadecylanilino)methanesulfonate Traditional Name: sodium (4-carboxy-N-cetyl-anilino)methanesulfonate Formula: C24H40NNaO5S MolecularWeight: 477.63287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CS(=O)(=O)[O-])C1=CC=C(C=C1)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CS(=O)(=O)[O-])C1=CC=C(C=C1)C(=O)O.[Na+]

InChI

InChI=1S/C24H41NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(21-31(28,29)30)23-18-16-22(17-19-23)24(26)27;/h16-19H,2-15,20-21H2,1H3,(H,26,27)(H,28,29,30);/q;+1/p-1