[(Z,7R,8S)-2-methyl-7-oxidanyl-octadec-3-en-8-yl] benzoate

Systemtic Name: [(Z,7R,8S)-2-methyl-7-oxidanyl-octadec-3-en-8-yl] benzoate Openeye Name: [(1S)-1-[(Z,1R)-1-hydroxy-6-methyl-hept-4-enyl]undecyl] benzoate CAS Name: benzoic acid [(Z,7R,8S)-7-hydroxy-2-methyloctadec-3-en-8-yl] ester IUPAC Name: [(Z,7R,8S)-7-hydroxy-2-methyloctadec-3-en-8-yl] benzoate Traditional Name: benzoic acid [(Z,1S,2R)-1-decyl-2-hydroxy-7-methyl-oct-5-enyl] ester Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCC=CC(C)C)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCC[C@@H]([C@@H](CC/C=C\C(C)C)O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-14-21-25(24(27)20-16-15-17-22(2)3)29-26(28)23-18-12-11-13-19-23/h11-13,15,17-19,22,24-25,27H,4-10,14,16,20-21H2,1-3H3/b17-15-/t24-,25+/m1/s1