2-methylbutyl 4-[4-(10-bromanyldecoxy)phenyl]benzoate

Systemtic Name: 2-methylbutyl 4-[4-(10-bromanyldecoxy)phenyl]benzoate Openeye Name: 2-methylbutyl 4-[4-(10-bromodecoxy)phenyl]benzoate CAS Name: 4-[4-(10-bromodecoxy)phenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[4-(10-bromodecoxy)phenyl]benzoate Traditional Name: 4-[4-(10-bromodecoxy)phenyl]benzoic acid 2-methylbutyl ester Formula: C28H39BrO3 MolecularWeight: 503.51146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39BrO3/c1-3-23(2)22-32-28(30)26-14-12-24(13-15-26)25-16-18-27(19-17-25)31-21-11-9-7-5-4-6-8-10-20-29/h12-19,23H,3-11,20-22H2,1-2H3