methyl 4-[4-(1-chloranylhexyl)phenyl]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClO2/c1-3-4-5-8-16(18)15-12-10-14(11-13-15)7-6-9-17(19)20-2/h10-13,16H,3-9H2,1-2H3