1-[4-(3-bromanyl-4-hexyl-phenyl)phenyl]ethyl 3-methylpentanoate

Systemtic Name: 1-[4-(3-bromanyl-4-hexyl-phenyl)phenyl]ethyl 3-methylpentanoate Openeye Name: 1-[4-(3-bromo-4-hexyl-phenyl)phenyl]ethyl 3-methylpentanoate CAS Name: 3-methylpentanoic acid 1-[4-(3-bromo-4-hexylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(3-bromo-4-hexylphenyl)phenyl]ethyl 3-methylpentanoate Traditional Name: 3-methylvaleric acid 1-[4-(3-bromo-4-hexyl-phenyl)phenyl]ethyl ester Formula: C26H35BrO2 MolecularWeight: 459.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CC(C)CC)Br

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CC(C)CC)Br

InChI

InChI=1S/C26H35BrO2/c1-5-7-8-9-10-23-15-16-24(18-25(23)27)22-13-11-21(12-14-22)20(4)29-26(28)17-19(3)6-2/h11-16,18-20H,5-10,17H2,1-4H3