[4-[1-(2-methylbutoxy)-1-oxidanylidene-propan-2-yl]phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-[1-(2-methylbutoxy)-1-oxidanylidene-propan-2-yl]phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-[1-methyl-2-(2-methylbutoxy)-2-oxo-ethyl]phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-[1-(2-methylbutoxy)-1-oxopropan-2-yl]phenyl] ester IUPAC Name: [4-[1-(2-methylbutoxy)-1-oxopropan-2-yl]phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-[2-keto-1-methyl-2-(2-methylbutoxy)ethyl]phenyl] ester Formula: C35H44O5 MolecularWeight: 544.72086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C)C(=O)OCC(C)CC

InChI

InChI=1S/C35H44O5/c1-5-7-8-9-10-11-24-38-32-20-18-30(19-21-32)29-12-14-31(15-13-29)35(37)40-33-22-16-28(17-23-33)27(4)34(36)39-25-26(3)6-2/h12-23,26-27H,5-11,24-25H2,1-4H3