calcium 2,4,6-trimethylbenzenesulfinate

Systemtic Name: calcium 2,4,6-trimethylbenzenesulfinate Openeye Name: calcium 2,4,6-trimethylbenzenesulfinate CAS Name: calcium 2,4,6-trimethylbenzenesulfinate IUPAC Name: calcium 2,4,6-trimethylbenzenesulfinate Traditional Name: calcium 2,4,6-trimethylbenzenesulfinate Formula: C18H22CaO4S2 MolecularWeight: 406.57288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H12O2S.Ca/c2*1-6-4-7(2)9(12(10)11)8(3)5-6;/h2*4-5H,1-3H3,(H,10,11);/q;;+2/p-2