[(2R,3R,4S)-4-methoxy-5,5-dimethyl-1,3-bis(oxidanyl)hept-6-en-2-yl] benzoate

Systemtic Name: [(2R,3R,4S)-4-methoxy-5,5-dimethyl-1,3-bis(oxidanyl)hept-6-en-2-yl] benzoate Openeye Name: [(1R,2R,3S)-2-hydroxy-1-(hydroxymethyl)-3-methoxy-4,4-dimethyl-hex-5-enyl] benzoate CAS Name: benzoic acid [(2R,3R,4S)-1,3-dihydroxy-4-methoxy-5,5-dimethylhept-6-en-2-yl] ester IUPAC Name: [(2R,3R,4S)-1,3-dihydroxy-4-methoxy-5,5-dimethylhept-6-en-2-yl] benzoate Traditional Name: benzoic acid [(1R,2R,3S)-2-hydroxy-3-methoxy-4,4-dimethyl-1-methylol-hex-5-enyl] ester Formula: C17H24O5 MolecularWeight: 308.36946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)C(C(C(CO)OC(=O)C1=CC=CC=C1)O)OC

Isomeric SMILES

CC(C)(C=C)[C@@H]([C@H]([C@@H](CO)OC(=O)C1=CC=CC=C1)O)OC

InChI

InChI=1S/C17H24O5/c1-5-17(2,3)15(21-4)14(19)13(11-18)22-16(20)12-9-7-6-8-10-12/h5-10,13-15,18-19H,1,11H2,2-4H3/t13-,14+,15-/m1/s1