hexan-2-yl 2-ethyl-4-[4-(4-propoxyphenyl)carbonyloxyphenyl]benzoate

Systemtic Name: hexan-2-yl 2-ethyl-4-[4-(4-propoxyphenyl)carbonyloxyphenyl]benzoate Openeye Name: 1-methylpentyl 2-ethyl-4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate CAS Name: 2-ethyl-4-[4-[oxo-(4-propoxyphenyl)methoxy]phenyl]benzoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 2-ethyl-4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate Traditional Name: 2-ethyl-4-[4-(4-propoxybenzoyl)oxyphenyl]benzoic acid 1-methylpentyl ester Formula: C31H36O5 MolecularWeight: 488.61454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCC)CC

Isomeric SMILES

CCCCC(C)OC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCC)CC

InChI

InChI=1S/C31H36O5/c1-5-8-9-22(4)35-31(33)29-19-14-26(21-23(29)7-3)24-10-17-28(18-11-24)36-30(32)25-12-15-27(16-13-25)34-20-6-2/h10-19,21-22H,5-9,20H2,1-4H3