2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[ethoxy(p-tolylsulfonyloxymethyl)phosphoryl]propanoic acid CAS Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]propanoic acid Traditional Name: 2-benzyl-3-[ethoxy(tosyloxymethyl)phosphoryl]propionic acid Formula: C20H25O7PS MolecularWeight: 440.447061

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(CC1=CC=CC=C1)C(=O)O)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOP(=O)(CC(CC1=CC=CC=C1)C(=O)O)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H25O7PS/c1-3-26-28(23,14-18(20(21)22)13-17-7-5-4-6-8-17)15-27-29(24,25)19-11-9-16(2)10-12-19/h4-12,18H,3,13-15H2,1-2H3,(H,21,22)