(E)-4-[(E)-hexadec-9-enoyl]oxy-2-methyl-5,6-bis(oxidanyl)hex-2-enoic acid

Systemtic Name: (E)-4-[(E)-hexadec-9-enoyl]oxy-2-methyl-5,6-bis(oxidanyl)hex-2-enoic acid Openeye Name: (E)-4-[(E)-hexadec-9-enoyl]oxy-5,6-dihydroxy-2-methyl-hex-2-enoic acid CAS Name: (E)-5,6-dihydroxy-2-methyl-4-[(E)-1-oxohexadec-9-enoxy]-2-hexenoic acid IUPAC Name: (E)-4-[(E)-hexadec-9-enoyl]oxy-5,6-dihydroxy-2-methylhex-2-enoic acid Traditional Name: (E)-4-[(E)-hexadec-9-enoyl]oxy-5,6-dihydroxy-2-methyl-hex-2-enoic acid Formula: C23H40O6 MolecularWeight: 412.5601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)29-21(20(25)18-24)17-19(2)23(27)28/h8-9,17,20-21,24-25H,3-7,10-16,18H2,1-2H3,(H,27,28)/b9-8+,19-17+