2-dodecyl-4-methyl-benzenesulfonate; lanthanum(3+)

Systemtic Name: 2-dodecyl-4-methyl-benzenesulfonate; lanthanum(3+) Openeye Name: 2-dodecyl-4-methyl-benzenesulfonate; lanthanum(3+) CAS Name: 2-dodecyl-4-methylbenzenesulfonate; lanthanum(3+) IUPAC Name: 2-dodecyl-4-methylbenzenesulfonate; lanthanum(3+) Traditional Name: lanthanum(3+); 2-lauryl-4-methyl-besylate Formula: C57H93LaO9S3 MolecularWeight: 1157.44342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1)C)S(=O)(=O)[O-].CCCCCCCCCCCCC1=C(C=CC(=C1)C)S(=O)(=O)[O-].CCCCCCCCCCCCC1=C(C=CC(=C1)C)S(=O)(=O)[O-].[La+3]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1)C)S(=O)(=O)[O-].CCCCCCCCCCCCC1=C(C=CC(=C1)C)S(=O)(=O)[O-].CCCCCCCCCCCCC1=C(C=CC(=C1)C)S(=O)(=O)[O-].[La+3]

InChI

InChI=1S/3C19H32O3S.La/c3*1-3-4-5-6-7-8-9-10-11-12-13-18-16-17(2)14-15-19(18)23(20,21)22;/h3*14-16H,3-13H2,1-2H3,(H,20,21,22);/q;;;+3/p-3