sodium 3-[(Z)-2-oxidanyloctadec-9-enoyl]oxypropane-1-sulfonate

Systemtic Name: sodium 3-[(Z)-2-oxidanyloctadec-9-enoyl]oxypropane-1-sulfonate Openeye Name: sodium 3-[(Z)-2-hydroxyoctadec-9-enoyl]oxypropane-1-sulfonate CAS Name: sodium 3-[(Z)-2-hydroxy-1-oxooctadec-9-enoxy]-1-propanesulfonate IUPAC Name: sodium 3-[(Z)-2-hydroxyoctadec-9-enoyl]oxypropane-1-sulfonate Traditional Name: sodium 3-[(Z)-2-hydroxyoctadec-9-enoyl]oxypropane-1-sulfonate Formula: C21H39NaO6S MolecularWeight: 442.58553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)21(23)27-18-16-19-28(24,25)26;/h9-10,20,22H,2-8,11-19H2,1H3,(H,24,25,26);/q;+1/p-1/b10-9-;