3-methyl-4-sulfocarbonyl-benzoate

Systemtic Name: 3-methyl-4-sulfocarbonyl-benzoate Openeye Name: 3-methyl-4-sulfocarbonyl-benzoate CAS Name: 3-methyl-4-[oxo(sulfo)methyl]benzoate IUPAC Name: 3-methyl-4-sulfocarbonylbenzoate Traditional Name: 3-methyl-4-sulfocarbonyl-benzoate Formula: C9H7O6S- MolecularWeight: 243.21328

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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)/p-1