4-methyl-2-[2-(4-methylphenyl)sulfonyloxy-1-phosphoroso-ethyl]pentanoic acid

Systemtic Name: 4-methyl-2-[2-(4-methylphenyl)sulfonyloxy-1-phosphoroso-ethyl]pentanoic acid Openeye Name: 4-methyl-2-[1-phosphoroso-2-(p-tolylsulfonyloxy)ethyl]pentanoic acid CAS Name: 4-methyl-2-[2-(4-methylphenyl)sulfonyloxy-1-phosphorosoethyl]pentanoic acid IUPAC Name: 4-methyl-2-[2-(4-methylphenyl)sulfonyloxy-1-phosphorosoethyl]pentanoic acid Traditional Name: 4-methyl-2-(1-phosphoroso-2-tosyloxy-ethyl)valeric acid Formula: C15H21O6PS MolecularWeight: 360.362401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC(C)C)C(=O)O)P=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC(C)C)C(=O)O)P=O

InChI

InChI=1S/C15H21O6PS/c1-10(2)8-13(15(16)17)14(22-18)9-21-23(19,20)12-6-4-11(3)5-7-12/h4-7,10,13-14H,8-9H2,1-3H3,(H,16,17)