2,3,3-trimethyl-4-sulfo-cyclopentene-1-carboxylic acid

Systemtic Name: 2,3,3-trimethyl-4-sulfo-cyclopentene-1-carboxylic acid Openeye Name: 2,3,3-trimethyl-4-sulfo-cyclopentene-1-carboxylic acid CAS Name: 2,3,3-trimethyl-4-sulfo-1-cyclopentenecarboxylic acid IUPAC Name: 2,3,3-trimethyl-4-sulfocyclopentene-1-carboxylic acid Traditional Name: 2,3,3-trimethyl-4-sulfo-cyclopentene-1-carboxylic acid Formula: C9H14O5S MolecularWeight: 234.26946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O5S/c1-5-6(8(10)11)4-7(9(5,2)3)15(12,13)14/h7H,4H2,1-3H3,(H,10,11)(H,12,13,14)