[(5S,6S,7S,8R)-6,8-dimethyl-7-oxidanyl-9-phenylmethoxy-non-1-en-5-yl] propanoate

Systemtic Name: [(5S,6S,7S,8R)-6,8-dimethyl-7-oxidanyl-9-phenylmethoxy-non-1-en-5-yl] propanoate Openeye Name: [(1S)-1-[(1S,2S,3R)-4-benzyloxy-2-hydroxy-1,3-dimethyl-butyl]pent-4-enyl] propanoate CAS Name: propanoic acid [(5S,6S,7S,8R)-7-hydroxy-6,8-dimethyl-9-phenylmethoxynon-1-en-5-yl] ester IUPAC Name: [(5S,6S,7S,8R)-7-hydroxy-6,8-dimethyl-9-phenylmethoxynon-1-en-5-yl] propanoate Traditional Name: propionic acid [(1S)-1-[(1S,2S,3R)-4-benzoxy-2-hydroxy-1,3-dimethyl-butyl]pent-4-enyl] ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CCC=C)C(C)C(C(C)COCC1=CC=CC=C1)O

Isomeric SMILES

CCC(=O)O[C@@H](CCC=C)[C@@H](C)[C@H]([C@H](C)COCC1=CC=CC=C1)O

InChI

InChI=1S/C21H32O4/c1-5-7-13-19(25-20(22)6-2)17(4)21(23)16(3)14-24-15-18-11-9-8-10-12-18/h5,8-12,16-17,19,21,23H,1,6-7,13-15H2,2-4H3/t16-,17-,19+,21+/m1/s1