2-sulfanylethylphosphonic acid; (2-sulfanylphenyl)methanesulfonic acid

Systemtic Name: 2-sulfanylethylphosphonic acid; (2-sulfanylphenyl)methanesulfonic acid Openeye Name: 2-sulfanylethylphosphonic acid; (2-sulfanylphenyl)methanesulfonic acid CAS Name: 2-mercaptoethylphosphonic acid; (2-mercaptophenyl)methanesulfonic acid IUPAC Name: 2-sulfanylethylphosphonic acid; (2-sulfanylphenyl)methanesulfonic acid Traditional Name: 2-mercaptoethylphosphonic acid; (2-mercaptophenyl)methanesulfonic acid Formula: C9H15O6PS3 MolecularWeight: 346.380561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)O)S.C(CS)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)O)S.C(CS)P(=O)(O)O

InChI

InChI=1S/C7H8O3S2.C2H7O3PS/c8-12(9,10)5-6-3-1-2-4-7(6)11;3-6(4,5)1-2-7/h1-4,11H,5H2,(H,8,9,10);7H,1-2H2,(H2,3,4,5)