[4,5,6-tris(oxidanyl)-1-oxidanylidene-2-prop-2-enoyloxy-hexan-3-yl] (E)-octadec-9-enoate

Systemtic Name: [4,5,6-tris(oxidanyl)-1-oxidanylidene-2-prop-2-enoyloxy-hexan-3-yl] (E)-octadec-9-enoate Openeye Name: [2,3,4-trihydroxy-1-(2-oxo-1-prop-2-enoyloxy-ethyl)butyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4,5,6-trihydroxy-1-oxo-2-(1-oxoprop-2-enoxy)hexan-3-yl] ester IUPAC Name: (4,5,6-trihydroxy-1-oxo-2-prop-2-enoyloxyhexan-3-yl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [1-(1-acryloyloxy-2-keto-ethyl)-2,3,4-trihydroxy-butyl] ester Formula: C27H46O8 MolecularWeight: 498.64934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C(C=O)OC(=O)C=C)C(C(CO)O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H46O8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(32)35-27(26(33)22(30)20-28)23(21-29)34-24(31)4-2/h4,11-12,21-23,26-28,30,33H,2-3,5-10,13-20H2,1H3/b12-11+