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ethanoyl 4-bromanyl-2-[2-(8-phenyloctyl)phenyl]benzoate

ethanoyl 4-bromanyl-2-[2-(8-phenyloctyl)phenyl]benzoate

Systemtic Name:ethanoyl 4-bromanyl-2-[2-(8-phenyloctyl)phenyl]benzoate
Openeye Name:acetyl 4-bromo-2-[2-(8-phenyloctyl)phenyl]benzoate
CAS Name:4-bromo-2-[2-(8-phenyloctyl)phenyl]benzoic acid acetyl ester
IUPAC Name:acetyl 4-bromo-2-[2-(8-phenyloctyl)phenyl]benzoate
Traditional Name:4-bromo-2-[2-(8-phenyloctyl)phenyl]benzoic acid acetyl ester
Formula: C29H31BrO3
MolecularWeight: 507.45864
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C1=C(C=C(C=C1)Br)C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3


Isomeric SMILES

CC(=O)OC(=O)C1=C(C=C(C=C1)Br)C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3


InChI

InChI=1S/C29H31BrO3/c1-22(31)33-29(32)27-20-19-25(30)21-28(27)26-18-12-11-17-24(26)16-10-5-3-2-4-7-13-23-14-8-6-9-15-23/h6,8-9,11-12,14-15,17-21H,2-5,7,10,13,16H2,1H3


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