4-methylbenzenesulfonate; samarium(3+)

Systemtic Name: 4-methylbenzenesulfonate; samarium(3+) Openeye Name: 4-methylbenzenesulfonate; samarium(3+) CAS Name: 4-methylbenzenesulfonate; samarium(3+) IUPAC Name: 4-methylbenzenesulfonate; samarium(3+) Traditional Name: samarium(3+) tritosylate Formula: C21H21O9S3Sm MolecularWeight: 663.94104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Sm+3]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Sm+3]

InChI

InChI=1S/3C7H8O3S.Sm/c3*1-6-2-4-7(5-3-6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);/q;;;+3/p-3