2-ethyl-4,4-dimethyl-3-[oxidanyl-(phenylmethyl)phosphoryl]pentanoic acid

Systemtic Name: 2-ethyl-4,4-dimethyl-3-[oxidanyl-(phenylmethyl)phosphoryl]pentanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-ethyl-4,4-dimethyl-pentanoic acid CAS Name: 2-ethyl-3-[hydroxy-(phenylmethyl)phosphoryl]-4,4-dimethylpentanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-ethyl-4,4-dimethylpentanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-ethyl-4,4-dimethyl-valeric acid Formula: C16H25O4P MolecularWeight: 312.341061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25O4P/c1-5-13(15(17)18)14(16(2,3)4)21(19,20)11-12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3,(H,17,18)(H,19,20)