S-[1,2,3-tris(oxidanyl)propyl] (E)-octadec-9-enethioate

Systemtic Name: S-[1,2,3-tris(oxidanyl)propyl] (E)-octadec-9-enethioate Openeye Name: S-(1,2,3-trihydroxypropyl) (E)-octadec-9-enethioate CAS Name: (E)-9-octadecenethioic acid S-(1,2,3-trihydroxypropyl) ester IUPAC Name: S-(1,2,3-trihydroxypropyl) (E)-octadec-9-enethioate Traditional Name: (E)-octadec-9-enethioic acid S-(1,2,3-trihydroxypropyl) ester Formula: C21H40O4S MolecularWeight: 388.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SC(C(CO)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SC(C(CO)O)O

InChI

InChI=1S/C21H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)26-21(25)19(23)18-22/h9-10,19,21-23,25H,2-8,11-18H2,1H3/b10-9+