[(1Z)-3-methyl-3-oxidanyl-hepta-1,6-dienyl] benzoate

Systemtic Name: [(1Z)-3-methyl-3-oxidanyl-hepta-1,6-dienyl] benzoate Openeye Name: [(1Z)-3-hydroxy-3-methyl-hepta-1,6-dienyl] benzoate CAS Name: benzoic acid [(1Z)-3-hydroxy-3-methylhepta-1,6-dienyl] ester IUPAC Name: [(1Z)-3-hydroxy-3-methylhepta-1,6-dienyl] benzoate Traditional Name: benzoic acid [(1Z)-3-hydroxy-3-methyl-hepta-1,6-dienyl] ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C)(C=COC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CC(CCC=C)(/C=C\OC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C15H18O3/c1-3-4-10-15(2,17)11-12-18-14(16)13-8-6-5-7-9-13/h3,5-9,11-12,17H,1,4,10H2,2H3/b12-11-