2-[(3-bromophenyl)methyl]hexadecanoate

Systemtic Name: 2-[(3-bromophenyl)methyl]hexadecanoate Openeye Name: 2-[(3-bromophenyl)methyl]hexadecanoate CAS Name: 2-[(3-bromophenyl)methyl]hexadecanoate IUPAC Name: 2-[(3-bromophenyl)methyl]hexadecanoate Traditional Name: 2-(3-bromobenzyl)palmitate Formula: C23H36BrO2- MolecularWeight: 424.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC1=CC(=CC=C1)Br)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CC1=CC(=CC=C1)Br)C(=O)[O-]

InChI

InChI=1S/C23H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(23(25)26)18-20-15-14-17-22(24)19-20/h14-15,17,19,21H,2-13,16,18H2,1H3,(H,25,26)/p-1