4-methyl-2-sulfooxy-benzoic acid

Systemtic Name: 4-methyl-2-sulfooxy-benzoic acid Openeye Name: 4-methyl-2-sulfooxy-benzoic acid CAS Name: 4-methyl-2-sulfooxybenzoic acid IUPAC Name: 4-methyl-2-sulfooxybenzoic acid Traditional Name: 4-methyl-2-sulfoxy-benzoic acid Formula: C8H8O6S MolecularWeight: 232.21052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O6S/c1-5-2-3-6(8(9)10)7(4-5)14-15(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)