heptyl 4-butylbenzoate

Systemtic Name: heptyl 4-butylbenzoate Openeye Name: heptyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid heptyl ester IUPAC Name: heptyl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid heptyl ester Formula: C18H28O2 MolecularWeight: 276.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)CCCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)CCCC

InChI

InChI=1S/C18H28O2/c1-3-5-7-8-9-15-20-18(19)17-13-11-16(12-14-17)10-6-4-2/h11-14H,3-10,15H2,1-2H3