2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-5-phenyl-pentanoic acid Openeye Name: 2-[[ethoxy(p-tolylsulfonyloxymethyl)phosphoryl]methyl]-5-phenyl-pentanoic acid CAS Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-5-phenylpentanoic acid IUPAC Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-5-phenylpentanoic acid Traditional Name: 2-[[ethoxy(tosyloxymethyl)phosphoryl]methyl]-5-phenyl-valeric acid Formula: C22H29O7PS MolecularWeight: 468.500221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(CCCC1=CC=CC=C1)C(=O)O)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOP(=O)(CC(CCCC1=CC=CC=C1)C(=O)O)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H29O7PS/c1-3-28-30(25,17-29-31(26,27)21-14-12-18(2)13-15-21)16-20(22(23)24)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-15,20H,3,7,10-11,16-17H2,1-2H3,(H,23,24)