[(Z,7R)-18-hexadecoxy-18-oxidanylidene-octadec-9-en-7-yl] benzoate

Systemtic Name: [(Z,7R)-18-hexadecoxy-18-oxidanylidene-octadec-9-en-7-yl] benzoate Openeye Name: [(Z,1R)-12-hexadecoxy-1-hexyl-12-oxo-dodec-3-enyl] benzoate CAS Name: benzoic acid [(Z,7R)-18-hexadecoxy-18-oxooctadec-9-en-7-yl] ester IUPAC Name: [(Z,7R)-18-hexadecoxy-18-oxooctadec-9-en-7-yl] benzoate Traditional Name: benzoic acid [(Z,1R)-12-cetyloxy-1-hexyl-12-keto-dodec-3-enyl] ester Formula: C41H70O4 MolecularWeight: 626.9921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C41H70O4/c1-3-5-7-9-10-11-12-13-14-15-18-21-24-31-37-44-40(42)36-30-23-20-17-16-19-22-29-35-39(34-28-8-6-4-2)45-41(43)38-32-26-25-27-33-38/h22,25-27,29,32-33,39H,3-21,23-24,28,30-31,34-37H2,1-2H3/b29-22-/t39-/m1/s1