[1-(4-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-(4-heptoxyphenyl)benzoate

Systemtic Name: [1-(4-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-(4-heptoxyphenyl)benzoate Openeye Name: [2-(4-butylphenyl)-1-methyl-2-oxo-ethyl] 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid [1-(4-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-butylphenyl)-1-oxopropan-2-yl] 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid [2-(4-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C33H40O4 MolecularWeight: 500.6683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C33H40O4/c1-4-6-8-9-10-24-36-31-22-20-28(21-23-31)27-16-18-30(19-17-27)33(35)37-25(3)32(34)29-14-12-26(13-15-29)11-7-5-2/h12-23,25H,4-11,24H2,1-3H3