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

Systemtic Name: [4-(2-bromanyl-1-methoxy-1-oxidanylidene-propan-2-yl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-(1-bromo-2-methoxy-1-methyl-2-oxo-ethyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-(2-bromo-1-methoxy-1-oxopropan-2-yl)phenyl] ester IUPAC Name: [4-(2-bromo-1-methoxy-1-oxopropan-2-yl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-(1-bromo-2-keto-2-methoxy-1-methyl-ethyl)phenyl] ester Formula: C31H35BrO5 MolecularWeight: 567.5106

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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)OC)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C)(C(=O)OC)Br

InChI

InChI=1S/C31H35BrO5/c1-4-5-6-7-8-9-22-36-27-18-14-24(15-19-27)23-10-12-25(13-11-23)29(33)37-28-20-16-26(17-21-28)31(2,32)30(34)35-3/h10-21H,4-9,22H2,1-3H3