[2-(12-bromanyldodecoxy)-6-(2-methylbutanoyloxy)phenyl] benzoate

Systemtic Name: [2-(12-bromanyldodecoxy)-6-(2-methylbutanoyloxy)phenyl] benzoate Openeye Name: [2-(12-bromododecoxy)-6-(2-methylbutanoyloxy)phenyl] benzoate CAS Name: benzoic acid [2-(12-bromododecoxy)-6-(2-methyl-1-oxobutoxy)phenyl] ester IUPAC Name: [2-(12-bromododecoxy)-6-(2-methylbutanoyloxy)phenyl] benzoate Traditional Name: benzoic acid [2-(12-bromododecoxy)-6-(2-methylbutanoyloxy)phenyl] ester Formula: C30H41BrO5 MolecularWeight: 561.54754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=C(C(=CC=C1)OCCCCCCCCCCCCBr)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(=O)OC1=C(C(=CC=C1)OCCCCCCCCCCCCBr)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C30H41BrO5/c1-3-24(2)29(32)35-27-21-17-20-26(28(27)36-30(33)25-18-13-12-14-19-25)34-23-16-11-9-7-5-4-6-8-10-15-22-31/h12-14,17-21,24H,3-11,15-16,22-23H2,1-2H3