calcium 3-chloranyl-4-methyl-benzenesulfonate

Systemtic Name: calcium 3-chloranyl-4-methyl-benzenesulfonate Openeye Name: calcium 3-chloro-4-methyl-benzenesulfonate CAS Name: calcium 3-chloro-4-methylbenzenesulfonate IUPAC Name: calcium 3-chloro-4-methylbenzenesulfonate Traditional Name: calcium 3-chloro-4-methyl-besylate Formula: C7H6CaClO3S+ MolecularWeight: 245.71674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])Cl.[Ca+2]

InChI

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