ethyl (4R,5S)-2-(4-methoxyphenyl)-6,6-dimethyl-5-oxidanyl-1,3-dioxepane-4-carboxylate

Systemtic Name: ethyl (4R,5S)-2-(4-methoxyphenyl)-6,6-dimethyl-5-oxidanyl-1,3-dioxepane-4-carboxylate Openeye Name: ethyl (4R,5S)-5-hydroxy-2-(4-methoxyphenyl)-6,6-dimethyl-1,3-dioxepane-4-carboxylate CAS Name: (4R,5S)-5-hydroxy-2-(4-methoxyphenyl)-6,6-dimethyl-1,3-dioxepane-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-hydroxy-2-(4-methoxyphenyl)-6,6-dimethyl-1,3-dioxepane-4-carboxylate Traditional Name: (4R,5S)-5-hydroxy-2-(4-methoxyphenyl)-6,6-dimethyl-1,3-dioxepane-4-carboxylic acid ethyl ester Formula: C17H24O6 MolecularWeight: 324.36886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(COC(O1)C2=CC=C(C=C2)OC)(C)C)O

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](C(COC(O1)C2=CC=C(C=C2)OC)(C)C)O

InChI

InChI=1S/C17H24O6/c1-5-21-15(19)13-14(18)17(2,3)10-22-16(23-13)11-6-8-12(20-4)9-7-11/h6-9,13-14,16,18H,5,10H2,1-4H3/t13-,14-,16?/m1/s1