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2-oxidanyl-2-(phenylmethyl)hexanoic acid

2-oxidanyl-2-(phenylmethyl)hexanoic acid

Systemtic Name:2-oxidanyl-2-(phenylmethyl)hexanoic acid
Openeye Name:2-benzyl-2-hydroxy-hexanoic acid
CAS Name:2-hydroxy-2-(phenylmethyl)hexanoic acid
IUPAC Name:2-benzyl-2-hydroxyhexanoic acid
Traditional Name:2-benzyl-2-hydroxy-hexanoic acid
Formula: C13H18O3
MolecularWeight: 222.28022
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=CC=C1)(C(=O)O)O


Isomeric SMILES

CCCCC(CC1=CC=CC=C1)(C(=O)O)O


InChI

InChI=1S/C13H18O3/c1-2-3-9-13(16,12(14)15)10-11-7-5-4-6-8-11/h4-8,16H,2-3,9-10H2,1H3,(H,14,15)


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