[2-[2-(4-chlorophenyl)ethyl]-3,3-dimethyl-2-oxidanyl-butyl] butanoate

Systemtic Name: [2-[2-(4-chlorophenyl)ethyl]-3,3-dimethyl-2-oxidanyl-butyl] butanoate Openeye Name: [2-[2-(4-chlorophenyl)ethyl]-2-hydroxy-3,3-dimethyl-butyl] butanoate CAS Name: butanoic acid [2-[2-(4-chlorophenyl)ethyl]-2-hydroxy-3,3-dimethylbutyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethyl]-2-hydroxy-3,3-dimethylbutyl] butanoate Traditional Name: butyric acid [2-[2-(4-chlorophenyl)ethyl]-2-hydroxy-3,3-dimethyl-butyl] ester Formula: C18H27ClO3 MolecularWeight: 326.85818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CCC1=CC=C(C=C1)Cl)(C(C)(C)C)O

Isomeric SMILES

CCCC(=O)OCC(CCC1=CC=C(C=C1)Cl)(C(C)(C)C)O

InChI

InChI=1S/C18H27ClO3/c1-5-6-16(20)22-13-18(21,17(2,3)4)12-11-14-7-9-15(19)10-8-14/h7-10,21H,5-6,11-13H2,1-4H3