3-methyl-4-sulfocarbonyl-benzoic acid

Systemtic Name: 3-methyl-4-sulfocarbonyl-benzoic acid Openeye Name: 3-methyl-4-sulfocarbonyl-benzoic acid CAS Name: 3-methyl-4-[oxo(sulfo)methyl]benzoic acid IUPAC Name: 3-methyl-4-sulfocarbonylbenzoic acid Traditional Name: 3-methyl-4-sulfocarbonyl-benzoic acid Formula: C9H8O6S MolecularWeight: 244.22122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O6S/c1-5-4-6(8(10)11)2-3-7(5)9(12)16(13,14)15/h2-4H,1H3,(H,10,11)(H,13,14,15)