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

Systemtic Name: methyl 4-[4-(1-chloranyloctyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-chlorooctyl)phenyl]butanoate CAS Name: 4-[4-(1-chlorooctyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-chlorooctyl)phenyl]butanoate Traditional Name: 4-[4-(1-chlorooctyl)phenyl]butyric acid methyl ester Formula: C19H29ClO2 MolecularWeight: 324.88536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClO2/c1-3-4-5-6-7-10-18(20)17-14-12-16(13-15-17)9-8-11-19(21)22-2/h12-15,18H,3-11H2,1-2H3