5-(hydroxymethyl)-7-methyl-2-(phenylmethyl)octanoic acid

Systemtic Name: 5-(hydroxymethyl)-7-methyl-2-(phenylmethyl)octanoic acid Openeye Name: 2-benzyl-5-(hydroxymethyl)-7-methyl-octanoic acid CAS Name: 5-(hydroxymethyl)-7-methyl-2-(phenylmethyl)octanoic acid IUPAC Name: 2-benzyl-5-(hydroxymethyl)-7-methyloctanoic acid Traditional Name: 2-benzyl-7-methyl-5-methylol-caprylic acid Formula: C17H26O3 MolecularWeight: 278.38654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCC(CC1=CC=CC=C1)C(=O)O)CO

Isomeric SMILES

CC(C)CC(CCC(CC1=CC=CC=C1)C(=O)O)CO

InChI

InChI=1S/C17H26O3/c1-13(2)10-15(12-18)8-9-16(17(19)20)11-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3,(H,19,20)