ethyl (E,5S,6S)-2,2,6-trimethyl-5-oxidanyl-7-phenylmethoxy-hept-3-enoate

Systemtic Name: ethyl (E,5S,6S)-2,2,6-trimethyl-5-oxidanyl-7-phenylmethoxy-hept-3-enoate Openeye Name: ethyl (E,5S,6S)-7-benzyloxy-5-hydroxy-2,2,6-trimethyl-hept-3-enoate CAS Name: (E,5S,6S)-5-hydroxy-2,2,6-trimethyl-7-phenylmethoxy-3-heptenoic acid ethyl ester IUPAC Name: ethyl (E,5S,6S)-5-hydroxy-2,2,6-trimethyl-7-phenylmethoxyhept-3-enoate Traditional Name: (E,5S,6S)-7-benzoxy-5-hydroxy-2,2,6-trimethyl-hept-3-enoic acid ethyl ester Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C=CC(C(C)COCC1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4/c1-5-23-18(21)19(3,4)12-11-17(20)15(2)13-22-14-16-9-7-6-8-10-16/h6-12,15,17,20H,5,13-14H2,1-4H3/b12-11+/t15-,17-/m0/s1