5-methyl-2-sulfo-benzoic acid

Systemtic Name: 5-methyl-2-sulfo-benzoic acid Openeye Name: 5-methyl-2-sulfo-benzoic acid CAS Name: 5-methyl-2-sulfobenzoic acid IUPAC Name: 5-methyl-2-sulfobenzoic acid Traditional Name: 5-methyl-2-sulfo-benzoic acid Formula: C8H8O5S MolecularWeight: 216.21112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O5S/c1-5-2-3-7(14(11,12)13)6(4-5)8(9)10/h2-4H,1H3,(H,9,10)(H,11,12,13)