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

Systemtic Name: ethyl (E,4S,5R,6S)-4,6-dimethyl-5-oxidanyl-7-phenylmethoxy-hept-2-enoate Openeye Name: ethyl (E,4S,5R,6S)-7-benzyloxy-5-hydroxy-4,6-dimethyl-hept-2-enoate CAS Name: (E,4S,5R,6S)-5-hydroxy-4,6-dimethyl-7-phenylmethoxy-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5R,6S)-5-hydroxy-4,6-dimethyl-7-phenylmethoxyhept-2-enoate Traditional Name: (E,4S,5R,6S)-7-benzoxy-5-hydroxy-4,6-dimethyl-hept-2-enoic acid ethyl ester Formula: C18H26O4 MolecularWeight: 306.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4/c1-4-22-17(19)11-10-14(2)18(20)15(3)12-21-13-16-8-6-5-7-9-16/h5-11,14-15,18,20H,4,12-13H2,1-3H3/b11-10+/t14-,15-,18+/m0/s1