2-(2-methylpropyl)-3-(3-methylsulfonyloxypropyl)butanedioic acid

Systemtic Name: 2-(2-methylpropyl)-3-(3-methylsulfonyloxypropyl)butanedioic acid Openeye Name: 2-isobutyl-3-(3-methylsulfonyloxypropyl)butanedioic acid CAS Name: 2-(2-methylpropyl)-3-(3-methylsulfonyloxypropyl)butanedioic acid IUPAC Name: 2-(2-methylpropyl)-3-(3-methylsulfonyloxypropyl)butanedioic acid Traditional Name: 2-isobutyl-3-(3-methylsulfonyloxypropyl)succinic acid Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CCCOS(=O)(=O)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(C(CCCOS(=O)(=O)C)C(=O)O)C(=O)O

InChI

InChI=1S/C12H22O7S/c1-8(2)7-10(12(15)16)9(11(13)14)5-4-6-19-20(3,17)18/h8-10H,4-7H2,1-3H3,(H,13,14)(H,15,16)