2,5-dimethyl-3-sulfo-benzoic acid; sodium

Systemtic Name: 2,5-dimethyl-3-sulfo-benzoic acid; sodium Openeye Name: 2,5-dimethyl-3-sulfo-benzoic acid; sodium CAS Name: 2,5-dimethyl-3-sulfobenzoic acid; sodium IUPAC Name: 2,5-dimethyl-3-sulfobenzoic acid; sodium Traditional Name: 2,5-dimethyl-3-sulfo-benzoic acid; sodium Formula: C9H10NaO5S MolecularWeight: 253.22747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)C)S(=O)(=O)O.[Na]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)C)S(=O)(=O)O.[Na]

InChI

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