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

Systemtic Name: 2-methylbutyl 4-[4-(12-bromanyldodecoxy)phenyl]benzoate Openeye Name: 2-methylbutyl 4-[4-(12-bromododecoxy)phenyl]benzoate CAS Name: 4-[4-(12-bromododecoxy)phenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[4-(12-bromododecoxy)phenyl]benzoate Traditional Name: 4-[4-(12-bromododecoxy)phenyl]benzoic acid 2-methylbutyl ester Formula: C30H43BrO3 MolecularWeight: 531.56462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43BrO3/c1-3-25(2)24-34-30(32)28-16-14-26(15-17-28)27-18-20-29(21-19-27)33-23-13-11-9-7-5-4-6-8-10-12-22-31/h14-21,25H,3-13,22-24H2,1-2H3