[(E)-3-[(E)-hexadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-6-phenyl-hex-5-en-2-yl] (E)-hexadec-9-enoate

Systemtic Name: [(E)-3-[(E)-hexadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-6-phenyl-hex-5-en-2-yl] (E)-hexadec-9-enoate Openeye Name: [(E)-2-[(E)-hexadec-9-enoyl]oxy-1-(hydroxymethyl)-3-oxo-5-phenyl-pent-4-enyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [(E)-1-hydroxy-4-oxo-3-[(E)-1-oxohexadec-9-enoxy]-6-phenylhex-5-en-2-yl] ester IUPAC Name: [(E)-3-[(E)-hexadec-9-enoyl]oxy-1-hydroxy-4-oxo-6-phenylhex-5-en-2-yl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [(E)-2-[(E)-hexadec-9-enoyl]oxy-3-keto-1-methylol-5-phenyl-pent-4-enyl] ester Formula: C44H70O6 MolecularWeight: 695.023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OC(CO)C(C(=O)C=CC1=CC=CC=C1)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OC(CO)C(C(=O)/C=C/C1=CC=CC=C1)OC(=O)CCCCCCC/C=C/CCCCCC

InChI

InChI=1S/C44H70O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-42(47)49-41(38-45)44(40(46)37-36-39-32-28-27-29-33-39)50-43(48)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,27-29,32-33,36-37,41,44-45H,3-12,17-26,30-31,34-35,38H2,1-2H3/b15-13+,16-14+,37-36+