methyl 4-[4-(1-chloranyl-3,3-dimethyl-butyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-chloranyl-3,3-dimethyl-butyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-chloro-3,3-dimethyl-butyl)phenyl]butanoate CAS Name: 4-[4-(1-chloro-3,3-dimethylbutyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-chloro-3,3-dimethylbutyl)phenyl]butanoate Traditional Name: 4-[4-(1-chloro-3,3-dimethyl-butyl)phenyl]butyric acid methyl ester Formula: C17H25ClO2 MolecularWeight: 296.8322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C1=CC=C(C=C1)CCCC(=O)OC)Cl

Isomeric SMILES

CC(C)(C)CC(C1=CC=C(C=C1)CCCC(=O)OC)Cl

InChI

InChI=1S/C17H25ClO2/c1-17(2,3)12-15(18)14-10-8-13(9-11-14)6-5-7-16(19)20-4/h8-11,15H,5-7,12H2,1-4H3