[3-butyl-5-ethenyl-4-(phenylcarbonyloxy)nonan-2-yl] benzoate

Systemtic Name: [3-butyl-5-ethenyl-4-(phenylcarbonyloxy)nonan-2-yl] benzoate Openeye Name: (3-benzoyloxy-2-butyl-1-methyl-4-vinyl-octyl) benzoate CAS Name: benzoic acid (4-benzoyloxy-3-butyl-5-ethenylnonan-2-yl) ester IUPAC Name: (4-benzoyloxy-3-butyl-5-ethenylnonan-2-yl) benzoate Traditional Name: benzoic acid (3-benzoyloxy-2,4-dibutyl-1-methyl-hex-5-enyl) ester Formula: C29H38O4 MolecularWeight: 450.60962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=C)C(C(CCCC)C(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C=C)C(C(CCCC)C(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C29H38O4/c1-5-8-16-23(7-3)27(33-29(31)25-19-14-11-15-20-25)26(21-9-6-2)22(4)32-28(30)24-17-12-10-13-18-24/h7,10-15,17-20,22-23,26-27H,3,5-6,8-9,16,21H2,1-2,4H3