[(4S,6S,8S)-6-methoxy-8-methyl-9-[(2R)-oxiran-2-yl]nonan-4-yl] benzoate

Systemtic Name: [(4S,6S,8S)-6-methoxy-8-methyl-9-[(2R)-oxiran-2-yl]nonan-4-yl] benzoate Openeye Name: [(1S,3S,5S)-3-methoxy-5-methyl-6-[(2R)-oxiran-2-yl]-1-propyl-hexyl] benzoate CAS Name: benzoic acid [(4S,6S,8S)-6-methoxy-8-methyl-9-[(2R)-2-oxiranyl]nonan-4-yl] ester IUPAC Name: [(4S,6S,8S)-6-methoxy-8-methyl-9-[(2R)-oxiran-2-yl]nonan-4-yl] benzoate Traditional Name: benzoic acid [(1S,3S,5S)-3-methoxy-5-methyl-6-[(2R)-oxiran-2-yl]-1-propyl-hexyl] ester Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CC(C)CC1CO1)OC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](C[C@H](C[C@H](C)C[C@@H]1CO1)OC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H30O4/c1-4-8-17(24-20(21)16-9-6-5-7-10-16)13-18(22-3)11-15(2)12-19-14-23-19/h5-7,9-10,15,17-19H,4,8,11-14H2,1-3H3/t15-,17-,18-,19+/m0/s1