methyl (E)-4-(1-oxidanylcycloheptyl)but-2-enoate

Systemtic Name: methyl (E)-4-(1-oxidanylcycloheptyl)but-2-enoate Openeye Name: methyl (E)-4-(1-hydroxycycloheptyl)but-2-enoate CAS Name: (E)-4-(1-hydroxycycloheptyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(1-hydroxycycloheptyl)but-2-enoate Traditional Name: (E)-4-(1-hydroxycycloheptyl)but-2-enoic acid methyl ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1(CCCCCC1)O

Isomeric SMILES

COC(=O)/C=C/CC1(CCCCCC1)O

InChI

InChI=1S/C12H20O3/c1-15-11(13)7-6-10-12(14)8-4-2-3-5-9-12/h6-7,14H,2-5,8-10H2,1H3/b7-6+