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

Systemtic Name: 4,4-dimethyl-3-[oxidanyl-(phenylmethyl)phosphoryl]-2-thiophen-2-yl-pentanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-4,4-dimethyl-2-(2-thienyl)pentanoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-4,4-dimethyl-2-thiophen-2-ylpentanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-4,4-dimethyl-2-thiophen-2-ylpentanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-4,4-dimethyl-2-(2-thienyl)valeric acid Formula: C18H23O4PS MolecularWeight: 366.411581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(C1=CC=CS1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C(C(C1=CC=CS1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C18H23O4PS/c1-18(2,3)16(15(17(19)20)14-10-7-11-24-14)23(21,22)12-13-8-5-4-6-9-13/h4-11,15-16H,12H2,1-3H3,(H,19,20)(H,21,22)