2-ethyl-2-methanoyl-5-(4-methylphenyl)carbonylsulfonyloxy-pentanoic acid

Systemtic Name: 2-ethyl-2-methanoyl-5-(4-methylphenyl)carbonylsulfonyloxy-pentanoic acid Openeye Name: 2-ethyl-2-formyl-5-(4-methylbenzoyl)sulfonyloxy-pentanoic acid CAS Name: 2-ethyl-2-formyl-5-[(4-methylphenyl)-oxomethyl]sulfonyloxypentanoic acid IUPAC Name: 2-ethyl-2-formyl-5-(4-methylbenzoyl)sulfonyloxypentanoic acid Traditional Name: 2-ethyl-2-formyl-5-p-toluoylsulfonyloxy-valeric acid Formula: C16H20O7S MolecularWeight: 356.3908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCOS(=O)(=O)C(=O)C1=CC=C(C=C1)C)(C=O)C(=O)O

Isomeric SMILES

CCC(CCCOS(=O)(=O)C(=O)C1=CC=C(C=C1)C)(C=O)C(=O)O

InChI

InChI=1S/C16H20O7S/c1-3-16(11-17,15(19)20)9-4-10-23-24(21,22)14(18)13-7-5-12(2)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)