sodium 2-[[(E)-2-methyloctadec-9-enoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[(E)-2-methyloctadec-9-enoyl]amino]ethanesulfonate Openeye Name: sodium 2-[[(E)-2-methyloctadec-9-enoyl]amino]ethanesulfonate CAS Name: sodium 2-[[(E)-2-methyl-1-oxooctadec-9-enyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[(E)-2-methyloctadec-9-enoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[(E)-2-methyloctadec-9-enoyl]amino]ethanesulfonate Formula: C21H40NNaO4S MolecularWeight: 425.60137

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C)C(=O)NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C)C(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21(23)22-18-19-27(24,25)26;/h10-11,20H,3-9,12-19H2,1-2H3,(H,22,23)(H,24,25,26);/q;+1/p-1/b11-10+;