pentane-3-thiol; phosphonocarbonylphosphonic acid

Systemtic Name: pentane-3-thiol; phosphonocarbonylphosphonic acid Openeye Name: pentane-3-thiol; phosphonocarbonylphosphonic acid CAS Name: [oxo(phosphono)methyl]phosphonic acid; 3-pentanethiol IUPAC Name: pentane-3-thiol; phosphonocarbonylphosphonic acid Traditional Name: pentane-3-thiol; phosphonocarbonylphosphonic acid Formula: C6H16O7P2S MolecularWeight: 294.199562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S.C(=O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)S.C(=O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H12S.CH4O7P2/c1-3-5(6)4-2;2-1(9(3,4)5)10(6,7)8/h5-6H,3-4H2,1-2H3;(H2,3,4,5)(H2,6,7,8)