methyl 4-[4-(1-chloranyl-4-methyl-pentyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-chloranyl-4-methyl-pentyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-chloro-4-methyl-pentyl)phenyl]butanoate CAS Name: 4-[4-(1-chloro-4-methylpentyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-chloro-4-methylpentyl)phenyl]butanoate Traditional Name: 4-[4-(1-chloro-4-methyl-pentyl)phenyl]butyric acid methyl ester Formula: C17H25ClO2 MolecularWeight: 296.8322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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