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

Systemtic Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-4-methyl-pentanoic acid Openeye Name: 2-[[ethoxy(p-tolylsulfonyloxymethyl)phosphoryl]methyl]-4-methyl-pentanoic acid CAS Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-4-methylpentanoic acid IUPAC Name: 2-[[ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphoryl]methyl]-4-methylpentanoic acid Traditional Name: 2-[[ethoxy(tosyloxymethyl)phosphoryl]methyl]-4-methyl-valeric acid Formula: C17H27O7PS MolecularWeight: 406.430841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27O7PS/c1-5-23-25(20,11-15(17(18)19)10-13(2)3)12-24-26(21,22)16-8-6-14(4)7-9-16/h6-9,13,15H,5,10-12H2,1-4H3,(H,18,19)