ethyl (E,4S,5S,6R)-2,4,6-trimethyl-5-oxidanyl-7-phenylmethoxy-hept-2-enoate

Systemtic Name: ethyl (E,4S,5S,6R)-2,4,6-trimethyl-5-oxidanyl-7-phenylmethoxy-hept-2-enoate Openeye Name: ethyl (E,4S,5S,6R)-7-benzyloxy-5-hydroxy-2,4,6-trimethyl-hept-2-enoate CAS Name: (E,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-7-phenylmethoxy-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-7-phenylmethoxyhept-2-enoate Traditional Name: (E,4S,5S,6R)-7-benzoxy-5-hydroxy-2,4,6-trimethyl-hept-2-enoic acid ethyl ester Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4/c1-5-23-19(21)15(3)11-14(2)18(20)16(4)12-22-13-17-9-7-6-8-10-17/h6-11,14,16,18,20H,5,12-13H2,1-4H3/b15-11+/t14-,16+,18-/m0/s1