methyl 1-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]-2,7-bis(oxidanylidene)cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]-2,7-bis(oxidanylidene)cycloheptane-1-carboxylate Openeye Name: methyl 1-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propoxy]-2,7-dioxo-cycloheptanecarboxylate CAS Name: 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-2,7-dioxo-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-2,7-dioxocycloheptane-1-carboxylate Traditional Name: 1-(3-hydroxy-2-methyl-2-methylol-propoxy)-2,7-diketo-cycloheptanecarboxylic acid methyl ester Formula: C14H22O7 MolecularWeight: 302.32028

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC1(C(=O)CCCCC1=O)C(=O)OC

Isomeric SMILES

CC(CO)(CO)COC1(C(=O)CCCCC1=O)C(=O)OC

InChI

InChI=1S/C14H22O7/c1-13(7-15,8-16)9-21-14(12(19)20-2)10(17)5-3-4-6-11(14)18/h15-16H,3-9H2,1-2H3