N,N-diethylethanamine; 4-sulfanylbutyl dihydrogen phosphate

Systemtic Name: N,N-diethylethanamine; 4-sulfanylbutyl dihydrogen phosphate Openeye Name: N,N-diethylethanamine; 4-sulfanylbutyl dihydrogen phosphate CAS Name: N,N-diethylethanamine; 4-mercaptobutyl dihydrogen phosphate IUPAC Name: N,N-diethylethanamine; 4-sulfanylbutyl dihydrogen phosphate Traditional Name: 4-mercaptobutyl dihydrogen phosphate; triethylamine Formula: C10H26NO4PS MolecularWeight: 287.356501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C(CCS)COP(=O)(O)O

Isomeric SMILES

CCN(CC)CC.C(CCS)COP(=O)(O)O

InChI

InChI=1S/C6H15N.C4H11O4PS/c1-4-7(5-2)6-3;5-9(6,7)8-3-1-2-4-10/h4-6H2,1-3H3;10H,1-4H2,(H2,5,6,7)