1-ethoxycarbonyl-4-ethyl-4-oxidanyl-cycloheptane-1-carboxylic acid

Systemtic Name: 1-ethoxycarbonyl-4-ethyl-4-oxidanyl-cycloheptane-1-carboxylic acid Openeye Name: 1-ethoxycarbonyl-4-ethyl-4-hydroxy-cycloheptanecarboxylic acid CAS Name: 1-ethoxycarbonyl-4-ethyl-4-hydroxy-1-cycloheptanecarboxylic acid IUPAC Name: 1-ethoxycarbonyl-4-ethyl-4-hydroxycycloheptane-1-carboxylic acid Traditional Name: 1-carbethoxy-4-ethyl-4-hydroxy-cycloheptanecarboxylic acid Formula: C13H22O5 MolecularWeight: 258.31078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC(CC1)(C(=O)O)C(=O)OCC)O

Isomeric SMILES

CCC1(CCCC(CC1)(C(=O)O)C(=O)OCC)O

InChI

InChI=1S/C13H22O5/c1-3-12(17)6-5-7-13(9-8-12,10(14)15)11(16)18-4-2/h17H,3-9H2,1-2H3,(H,14,15)