3-[azanyl-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[azanyl-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-hydroxy-propane-1-sulfonic acid CAS Name: 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-hydroxypropane-1-sulfonic acid Traditional Name: 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-hydroxy-propane-1-sulfonic acid Formula: C7H17Cl2N2O6PS MolecularWeight: 359.164441

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Descriptors Computed from Structure

Canonical SMILES:

C(COP(=O)(N)N(CCCl)CCCl)C(O)S(=O)(=O)O

Isomeric SMILES

C(COP(=O)(N)N(CCCl)CCCl)C(O)S(=O)(=O)O

InChI

InChI=1S/C7H17Cl2N2O6PS/c8-2-4-11(5-3-9)18(10,13)17-6-1-7(12)19(14,15)16/h7,12H,1-6H2,(H2,10,13)(H,14,15,16)