methyl 4-[3-(5-hexanoyl-2-oxidanyl-phenyl)propyl]benzoate

Systemtic Name: methyl 4-[3-(5-hexanoyl-2-oxidanyl-phenyl)propyl]benzoate Openeye Name: methyl 4-[3-(5-hexanoyl-2-hydroxy-phenyl)propyl]benzoate CAS Name: 4-[3-[2-hydroxy-5-(1-oxohexyl)phenyl]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(5-hexanoyl-2-hydroxyphenyl)propyl]benzoate Traditional Name: 4-[3-(5-caproyl-2-hydroxy-phenyl)propyl]benzoic acid methyl ester Formula: C23H28O4 MolecularWeight: 368.46602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C=C1)O)CCCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C=C1)O)CCCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H28O4/c1-3-4-5-9-21(24)20-14-15-22(25)19(16-20)8-6-7-17-10-12-18(13-11-17)23(26)27-2/h10-16,25H,3-9H2,1-2H3