[(3S,6E)-3,7,11-trimethyl-3-oxidanyl-dodeca-6,10-dienyl] 2-phenylethanoate

Systemtic Name: [(3S,6E)-3,7,11-trimethyl-3-oxidanyl-dodeca-6,10-dienyl] 2-phenylethanoate Openeye Name: [(3S,6E)-3-hydroxy-3,7,11-trimethyl-dodeca-6,10-dienyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(3S,6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienyl] ester IUPAC Name: [(3S,6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienyl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(3S,6E)-3-hydroxy-3,7,11-trimethyl-dodeca-6,10-dienyl] ester Formula: C23H34O3 MolecularWeight: 358.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(C)(CCOC(=O)CC1=CC=CC=C1)O)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC[C@@](C)(CCOC(=O)CC1=CC=CC=C1)O)/C)C

InChI

InChI=1S/C23H34O3/c1-19(2)10-8-11-20(3)12-9-15-23(4,25)16-17-26-22(24)18-21-13-6-5-7-14-21/h5-7,10,12-14,25H,8-9,11,15-18H2,1-4H3/b20-12+/t23-/m0/s1