3-methyl-3-oxidanyl-2-phenyl-octanoic acid

Systemtic Name: 3-methyl-3-oxidanyl-2-phenyl-octanoic acid Openeye Name: 3-hydroxy-3-methyl-2-phenyl-octanoic acid CAS Name: 3-hydroxy-3-methyl-2-phenyloctanoic acid IUPAC Name: 3-hydroxy-3-methyl-2-phenyloctanoic acid Traditional Name: 3-hydroxy-3-methyl-2-phenyl-caprylic acid Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(C1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

CCCCCC(C)(C(C1=CC=CC=C1)C(=O)O)O

InChI

InChI=1S/C15H22O3/c1-3-4-8-11-15(2,18)13(14(16)17)12-9-6-5-7-10-12/h5-7,9-10,13,18H,3-4,8,11H2,1-2H3,(H,16,17)