(2-octanoyloxy-3-sulfooxy-propyl) octanoate

Systemtic Name: (2-octanoyloxy-3-sulfooxy-propyl) octanoate Openeye Name: (2-octanoyloxy-3-sulfooxy-propyl) octanoate CAS Name: octanoic acid [2-(1-oxooctoxy)-3-sulfooxypropyl] ester IUPAC Name: (2-octanoyloxy-3-sulfooxypropyl) octanoate Traditional Name: caprylic acid (2-caprylyloxy-3-sulfoxy-propyl) ester Formula: C19H36O8S MolecularWeight: 424.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(COS(=O)(=O)O)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCC(COS(=O)(=O)O)OC(=O)CCCCCCC

InChI

InChI=1S/C19H36O8S/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,22,23,24)