sodium (3-dodecylsulfonyl-1-oxidanyl-1-phosphono-prop-2-ynyl)phosphonic acid

Systemtic Name: sodium (3-dodecylsulfonyl-1-oxidanyl-1-phosphono-prop-2-ynyl)phosphonic acid Openeye Name: sodium (3-dodecylsulfonyl-1-hydroxy-1-phosphono-prop-2-ynyl)phosphonic acid CAS Name: sodium (3-dodecylsulfonyl-1-hydroxy-1-phosphonoprop-2-ynyl)phosphonic acid IUPAC Name: sodium (3-dodecylsulfonyl-1-hydroxy-1-phosphonoprop-2-ynyl)phosphonic acid Traditional Name: sodium (1-hydroxy-3-laurylsulfonyl-1-phosphono-prop-2-ynyl)phosphonic acid Formula: C15H30NaO9P2S+ MolecularWeight: 471.395592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C#CC(O)(P(=O)(O)O)P(=O)(O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C#CC(O)(P(=O)(O)O)P(=O)(O)O.[Na+]

InChI

InChI=1S/C15H30O9P2S.Na/c1-2-3-4-5-6-7-8-9-10-11-13-27(23,24)14-12-15(16,25(17,18)19)26(20,21)22;/h16H,2-11,13H2,1H3,(H2,17,18,19)(H2,20,21,22);/q;+1