[(E,2S,3S)-2,3-dimethyl-2-(phenylmethyl)non-4-enyl] 4-bromanylbenzoate

Systemtic Name: [(E,2S,3S)-2,3-dimethyl-2-(phenylmethyl)non-4-enyl] 4-bromanylbenzoate Openeye Name: [(E,2S,3S)-2-benzyl-2,3-dimethyl-non-4-enyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(E,2S,3S)-2,3-dimethyl-2-(phenylmethyl)non-4-enyl] ester IUPAC Name: [(E,2S,3S)-2-benzyl-2,3-dimethylnon-4-enyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E,2S,3S)-2-benzyl-2,3-dimethyl-non-4-enyl] ester Formula: C25H31BrO2 MolecularWeight: 443.41644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(C)C(C)(CC1=CC=CC=C1)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC/C=C/[C@H](C)[C@](C)(CC1=CC=CC=C1)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C25H31BrO2/c1-4-5-6-8-11-20(2)25(3,18-21-12-9-7-10-13-21)19-28-24(27)22-14-16-23(26)17-15-22/h7-17,20H,4-6,18-19H2,1-3H3/b11-8+/t20-,25+/m0/s1