5-methyl-2-oxidanyl-3-sulfo-benzoic acid

Systemtic Name: 5-methyl-2-oxidanyl-3-sulfo-benzoic acid Openeye Name: 2-hydroxy-5-methyl-3-sulfo-benzoic acid CAS Name: 2-hydroxy-5-methyl-3-sulfobenzoic acid IUPAC Name: 2-hydroxy-5-methyl-3-sulfobenzoic acid Traditional Name: 2-hydroxy-5-methyl-3-sulfo-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)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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