3-[(Z)-octadec-9-enoyl]oxy-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(Z)-octadec-9-enoyl]oxy-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[(Z)-1-oxooctadec-9-enoxy]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propane-1-sulfonic acid Formula: C21H40O6S MolecularWeight: 420.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CS(=O)(=O)O)O

InChI

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