3,4-dimethyl-2-sulfo-benzoic acid

Systemtic Name: 3,4-dimethyl-2-sulfo-benzoic acid Openeye Name: 3,4-dimethyl-2-sulfo-benzoic acid CAS Name: 3,4-dimethyl-2-sulfobenzoic acid IUPAC Name: 3,4-dimethyl-2-sulfobenzoic acid Traditional Name: 3,4-dimethyl-2-sulfo-benzoic acid Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O5S/c1-5-3-4-7(9(10)11)8(6(5)2)15(12,13)14/h3-4H,1-2H3,(H,10,11)(H,12,13,14)