sodium 4-chloranyl-3-methyl-benzenesulfonic acid

Systemtic Name: sodium 4-chloranyl-3-methyl-benzenesulfonic acid Openeye Name: sodium 4-chloro-3-methyl-benzenesulfonic acid CAS Name: sodium 4-chloro-3-methylbenzenesulfonic acid IUPAC Name: sodium 4-chloro-3-methylbenzenesulfonic acid Traditional Name: sodium 4-chloro-3-methyl-besylic acid Formula: C7H7ClNaO3S+ MolecularWeight: 229.63645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7ClO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,1H3,(H,9,10,11);/q;+1