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

Systemtic Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-4-phenyl-butanoic acid Openeye Name: 2-[[ethoxy(p-tolylsulfonyloxymethyl)phosphoryl]methyl]-4-phenyl-butanoic acid CAS Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-4-phenylbutanoic acid IUPAC Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-4-phenylbutanoic acid Traditional Name: 2-[[ethoxy(tosyloxymethyl)phosphoryl]methyl]-4-phenyl-butyric acid Formula: C21H27O7PS MolecularWeight: 454.473641

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(CCC1=CC=CC=C1)C(=O)O)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOP(=O)(CC(CCC1=CC=CC=C1)C(=O)O)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H27O7PS/c1-3-27-29(24,16-28-30(25,26)20-13-9-17(2)10-14-20)15-19(21(22)23)12-11-18-7-5-4-6-8-18/h4-10,13-14,19H,3,11-12,15-16H2,1-2H3,(H,22,23)