6-methylheptyl 4-(3-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: 6-methylheptyl 4-(3-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: 6-methylheptyl 4-(3-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(3-chloro-2-methylphenoxy)butanoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 4-(3-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(3-chloro-2-methyl-phenoxy)butyric acid 6-methylheptyl ester Formula: C19H29ClO3 MolecularWeight: 340.88476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)OCCCC(=O)OCCCCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)OCCCC(=O)OCCCCCC(C)C

InChI

InChI=1S/C19H29ClO3/c1-15(2)9-5-4-6-13-23-19(21)12-8-14-22-18-11-7-10-17(20)16(18)3/h7,10-11,15H,4-6,8-9,12-14H2,1-3H3