octan-2-yl 4-chloranylbenzoate

Systemtic Name: octan-2-yl 4-chloranylbenzoate Openeye Name: 1-methylheptyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 1-methylheptyl ester Formula: C15H21ClO2 MolecularWeight: 268.77904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO2/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h8-12H,3-7H2,1-2H3