methyl 2-[4-(2-ethoxy-1-oxidanyl-2-oxidanylidene-ethyl)-5-oxidanylidene-7-phenyl-oxepan-2-yl]-2-methyl-propanoate

Systemtic Name: methyl 2-[4-(2-ethoxy-1-oxidanyl-2-oxidanylidene-ethyl)-5-oxidanylidene-7-phenyl-oxepan-2-yl]-2-methyl-propanoate Openeye Name: methyl 2-[4-(2-ethoxy-1-hydroxy-2-oxo-ethyl)-5-oxo-7-phenyl-oxepan-2-yl]-2-methyl-propanoate CAS Name: 2-[4-(2-ethoxy-1-hydroxy-2-oxoethyl)-5-oxo-7-phenyl-2-oxepanyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-(2-ethoxy-1-hydroxy-2-oxoethyl)-5-oxo-7-phenyloxepan-2-yl]-2-methylpropanoate Traditional Name: 2-[4-(2-ethoxy-1-hydroxy-2-keto-ethyl)-5-keto-7-phenyl-oxepan-2-yl]-2-methyl-propionic acid methyl ester Formula: C21H28O7 MolecularWeight: 392.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC(OC(CC1=O)C2=CC=CC=C2)C(C)(C)C(=O)OC)O

Isomeric SMILES

CCOC(=O)C(C1CC(OC(CC1=O)C2=CC=CC=C2)C(C)(C)C(=O)OC)O

InChI

InChI=1S/C21H28O7/c1-5-27-19(24)18(23)14-11-17(21(2,3)20(25)26-4)28-16(12-15(14)22)13-9-7-6-8-10-13/h6-10,14,16-18,23H,5,11-12H2,1-4H3