2,5,6-tris(oxidanyl)hexan-3-yl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 2,5,6-tris(oxidanyl)hexan-3-yl (E)-12-oxidanyloctadec-9-enoate Openeye Name: [3,4-dihydroxy-1-(1-hydroxyethyl)butyl] (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 2,5,6-trihydroxyhexan-3-yl ester IUPAC Name: 2,5,6-trihydroxyhexan-3-yl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid [3,4-dihydroxy-1-(1-hydroxyethyl)butyl] ester Formula: C24H46O6 MolecularWeight: 430.61844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46O6/c1-3-4-5-12-15-21(27)16-13-10-8-6-7-9-11-14-17-24(29)30-23(20(2)26)18-22(28)19-25/h10,13,20-23,25-28H,3-9,11-12,14-19H2,1-2H3/b13-10+