2-octylsulfonylethyl carbamimidothioate; phosphoric acid

Systemtic Name: 2-octylsulfonylethyl carbamimidothioate; phosphoric acid Openeye Name: 2-(2-octylsulfonylethyl)isothiourea; phosphoric acid CAS Name: carbamimidothioic acid 2-octylsulfonylethyl ester; phosphoric acid IUPAC Name: 2-octylsulfonylethyl carbamimidothioate; phosphoric acid Traditional Name: 2-(2-octylsulfonylethyl)isothiourea; phosphoric acid Formula: C11H27N2O6PS2 MolecularWeight: 378.445641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)CCSC(=N)N.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)CCSC(=N)N.OP(=O)(O)O

InChI

InChI=1S/C11H24N2O2S2.H3O4P/c1-2-3-4-5-6-7-9-17(14,15)10-8-16-11(12)13;1-5(2,3)4/h2-10H2,1H3,(H3,12,13);(H3,1,2,3,4)