sodium 2-[methyl-[(9Z,12Z)-octadeca-9,12-dienoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[methyl-[(9Z,12Z)-octadeca-9,12-dienoyl]amino]ethanesulfonate Openeye Name: sodium 2-[methyl-[(9Z,12Z)-octadeca-9,12-dienoyl]amino]ethanesulfonate CAS Name: sodium 2-[methyl-[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]amino]ethanesulfonate IUPAC Name: sodium 2-[methyl-[(9Z,12Z)-octadeca-9,12-dienoyl]amino]ethanesulfonate Traditional Name: sodium 2-[methyl-[(9Z,12Z)-octadeca-9,12-dienoyl]amino]ethanesulfonate Formula: C21H38NNaO4S MolecularWeight: 423.58549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H39NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h7-8,10-11H,3-6,9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b8-7-,11-10-;