[(3S,4S)-1-[3-(hydroxymethyl)-2-methyl-oxiran-2-yl]-4-methyl-4-oxidanyl-oct-7-en-3-yl] benzoate

Systemtic Name: [(3S,4S)-1-[3-(hydroxymethyl)-2-methyl-oxiran-2-yl]-4-methyl-4-oxidanyl-oct-7-en-3-yl] benzoate Openeye Name: [(1S,2S)-2-hydroxy-1-[2-[3-(hydroxymethyl)-2-methyl-oxiran-2-yl]ethyl]-2-methyl-hex-5-enyl] benzoate CAS Name: benzoic acid [(3S,4S)-4-hydroxy-1-[3-(hydroxymethyl)-2-methyl-2-oxiranyl]-4-methyloct-7-en-3-yl] ester IUPAC Name: [(3S,4S)-4-hydroxy-1-[3-(hydroxymethyl)-2-methyloxiran-2-yl]-4-methyloct-7-en-3-yl] benzoate Traditional Name: benzoic acid [(1S,2S)-2-hydroxy-2-methyl-1-[2-(2-methyl-3-methylol-oxiran-2-yl)ethyl]hex-5-enyl] ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)CO)CCC(C(C)(CCC=C)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1(C(O1)CO)CC[C@@H]([C@](C)(CCC=C)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28O5/c1-4-5-12-19(2,23)16(11-13-20(3)17(14-21)25-20)24-18(22)15-9-7-6-8-10-15/h4,6-10,16-17,21,23H,1,5,11-14H2,2-3H3/t16-,17?,19-,20?/m0/s1