[oxidanyl(propoxy)phosphoryl] propyl hydrogen phosphate; propyl carbamimidothioate

Systemtic Name: [oxidanyl(propoxy)phosphoryl] propyl hydrogen phosphate; propyl carbamimidothioate Openeye Name: [hydroxy(propoxy)phosphoryl] propyl hydrogen phosphate; 2-propylisothiourea CAS Name: carbamimidothioic acid propyl ester; [hydroxy(propoxy)phosphoryl] propyl hydrogen phosphate IUPAC Name: [hydroxy(propoxy)phosphoryl] propyl hydrogen phosphate; propyl carbamimidothioate Traditional Name: [hydroxy(propoxy)phosphoryl] propyl hydrogen phosphate; 2-propylisothiourea Formula: C14H36N4O7P2S2 MolecularWeight: 498.535762

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(O)OP(=O)(O)OCCC.CCCSC(=N)N.CCCSC(=N)N

Isomeric SMILES

CCCOP(=O)(O)OP(=O)(O)OCCC.CCCSC(=N)N.CCCSC(=N)N

InChI

InChI=1S/C6H16O7P2.2C4H10N2S/c1-3-5-11-14(7,8)13-15(9,10)12-6-4-2;2*1-2-3-7-4(5)6/h3-6H2,1-2H3,(H,7,8)(H,9,10);2*2-3H2,1H3,(H3,5,6)