heptan-3-yl 4-chloranylbenzoate

Systemtic Name: heptan-3-yl 4-chloranylbenzoate Openeye Name: 1-ethylpentyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid heptan-3-yl ester IUPAC Name: heptan-3-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 1-ethylpentyl ester Formula: C14H19ClO2 MolecularWeight: 254.75246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO2/c1-3-5-6-13(4-2)17-14(16)11-7-9-12(15)10-8-11/h7-10,13H,3-6H2,1-2H3