4-[(E)-2-octyloctadec-9-enoyl]oxy-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(E)-2-octyloctadec-9-enoyl]oxy-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-hydroxy-4-[(E)-2-octyloctadec-9-enoyl]oxy-4-oxo-butanoic acid CAS Name: 3-hydroxy-4-[(E)-2-octyl-1-oxooctadec-9-enoxy]-4-oxobutanoic acid IUPAC Name: 3-hydroxy-4-[(E)-2-octyloctadec-9-enoyl]oxy-4-oxobutanoic acid Traditional Name: 3-hydroxy-4-keto-4-[(E)-2-octyloctadec-9-enoyl]oxy-butyric acid Formula: C30H54O6 MolecularWeight: 510.74616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCCCCCCC)C(=O)OC(=O)C(CC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H54O6/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26(23-21-19-10-8-6-4-2)29(34)36-30(35)27(31)25-28(32)33/h14-15,26-27,31H,3-13,16-25H2,1-2H3,(H,32,33)/b15-14+