4-methylbenzenesulfonate; neodymium(3+)

Systemtic Name: 4-methylbenzenesulfonate; neodymium(3+) Openeye Name: 4-methylbenzenesulfonate; neodymium(3+) CAS Name: 4-methylbenzenesulfonate; neodymium(3+) IUPAC Name: 4-methylbenzenesulfonate; neodymium(3+) Traditional Name: neodymium(3+) tritosylate Formula: C21H21NdO9S3 MolecularWeight: 657.82104

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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-].[Nd+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-].[Nd+3]

InChI

InChI=1S/3C7H8O3S.Nd/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