sodium 2-[[(Z)-15-methylhexadec-9-enoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[(Z)-15-methylhexadec-9-enoyl]amino]ethanesulfonate Openeye Name: sodium 2-[[(Z)-15-methylhexadec-9-enoyl]amino]ethanesulfonate CAS Name: sodium 2-[[(Z)-15-methyl-1-oxohexadec-9-enyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[(Z)-15-methylhexadec-9-enoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[(Z)-15-methylhexadec-9-enoyl]amino]ethanesulfonate Formula: C19H36NNaO4S MolecularWeight: 397.54821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCCC/C=C\CCCCCCCC(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H37NO4S.Na/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-19(21)20-16-17-25(22,23)24;/h4,6,18H,3,5,7-17H2,1-2H3,(H,20,21)(H,22,23,24);/q;+1/p-1/b6-4-;