2-methylbutyl 4-[4-[4-(12-bromanyldodecoxy)phenyl]carbonyloxyphenyl]benzoate

Systemtic Name: 2-methylbutyl 4-[4-[4-(12-bromanyldodecoxy)phenyl]carbonyloxyphenyl]benzoate Openeye Name: 2-methylbutyl 4-[4-[4-(12-bromododecoxy)benzoyl]oxyphenyl]benzoate CAS Name: 4-[4-[[4-(12-bromododecoxy)phenyl]-oxomethoxy]phenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[4-[4-(12-bromododecoxy)benzoyl]oxyphenyl]benzoate Traditional Name: 4-[4-[4-(12-bromododecoxy)benzoyl]oxyphenyl]benzoic acid 2-methylbutyl ester Formula: C37H47BrO5 MolecularWeight: 651.67008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCCCCBr

Isomeric SMILES

CCC(C)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCCCCBr

InChI

InChI=1S/C37H47BrO5/c1-3-29(2)28-42-36(39)32-16-14-30(15-17-32)31-18-24-35(25-19-31)43-37(40)33-20-22-34(23-21-33)41-27-13-11-9-7-5-4-6-8-10-12-26-38/h14-25,29H,3-13,26-28H2,1-2H3