[(Z,3S,4R)-3-methyl-4-oxidanyl-hept-1-enyl] benzoate

Systemtic Name: [(Z,3S,4R)-3-methyl-4-oxidanyl-hept-1-enyl] benzoate Openeye Name: [(Z,3S,4R)-4-hydroxy-3-methyl-hept-1-enyl] benzoate CAS Name: benzoic acid [(Z,3S,4R)-4-hydroxy-3-methylhept-1-enyl] ester IUPAC Name: [(Z,3S,4R)-4-hydroxy-3-methylhept-1-enyl] benzoate Traditional Name: benzoic acid [(Z,3S,4R)-4-hydroxy-3-methyl-hept-1-enyl] ester Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O3/c1-3-7-14(16)12(2)10-11-18-15(17)13-8-5-4-6-9-13/h4-6,8-12,14,16H,3,7H2,1-2H3/b11-10-/t12-,14+/m0/s1