3-[oxidanyl-(phenylmethyl)phosphoryl]-2-thiophen-3-yl-nonanoic acid

Systemtic Name: 3-[oxidanyl-(phenylmethyl)phosphoryl]-2-thiophen-3-yl-nonanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-(3-thienyl)nonanoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-2-(3-thiophenyl)nonanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-thiophen-3-ylnonanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-(3-thienyl)pelargonic acid Formula: C20H27O4PS MolecularWeight: 394.464741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C1=CSC=C1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC(C(C1=CSC=C1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C20H27O4PS/c1-2-3-4-8-11-18(19(20(21)22)17-12-13-26-15-17)25(23,24)14-16-9-6-5-7-10-16/h5-7,9-10,12-13,15,18-19H,2-4,8,11,14H2,1H3,(H,21,22)(H,23,24)