[(E)-heptadec-9-en-7-yl] 2-[(E)-12-oxidanyloctadec-9-enoyl]oxybenzoate

Systemtic Name: [(E)-heptadec-9-en-7-yl] 2-[(E)-12-oxidanyloctadec-9-enoyl]oxybenzoate Openeye Name: [(E)-1-hexylundec-3-enyl] 2-[(E)-12-hydroxyoctadec-9-enoyl]oxybenzoate CAS Name: 2-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]benzoic acid [(E)-heptadec-9-en-7-yl] ester IUPAC Name: [(E)-heptadec-9-en-7-yl] 2-[(E)-12-hydroxyoctadec-9-enoyl]oxybenzoate Traditional Name: 2-[(E)-12-hydroxyoctadec-9-enoyl]oxybenzoic acid [(E)-1-hexylundec-3-enyl] ester Formula: C42H70O5 MolecularWeight: 655.0022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCC(CCCCCC)OC(=O)C1=CC=CC=C1OC(=O)CCCCCCCC=CCC(CCCCCC)O

Isomeric SMILES

CCCCCCC/C=C/CC(CCCCCC)OC(=O)C1=CC=CC=C1OC(=O)CCCCCCC/C=C/CC(CCCCCC)O

InChI

InChI=1S/C42H70O5/c1-4-7-10-13-14-18-21-26-33-38(32-25-12-9-6-3)46-42(45)39-34-28-29-35-40(39)47-41(44)36-27-22-19-16-15-17-20-24-31-37(43)30-23-11-8-5-2/h20-21,24,26,28-29,34-35,37-38,43H,4-19,22-23,25,27,30-33,36H2,1-3H3/b24-20+,26-21+