1-(2-bromophenyl)ethanol; docosanoic acid

Systemtic Name: 1-(2-bromophenyl)ethanol; docosanoic acid Openeye Name: 1-(2-bromophenyl)ethanol; docosanoic acid CAS Name: 1-(2-bromophenyl)ethanol; docosanoic acid IUPAC Name: 1-(2-bromophenyl)ethanol; docosanoic acid Traditional Name: behenic acid; 1-(2-bromophenyl)ethanol Formula: C30H53BrO3 MolecularWeight: 541.64402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(C1=CC=CC=C1Br)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(C1=CC=CC=C1Br)O

InChI

InChI=1S/C22H44O2.C8H9BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-6(10)7-4-2-3-5-8(7)9/h2-21H2,1H3,(H,23,24);2-6,10H,1H3