ethane-1,2-disulfonic acid; N,N,5-triethyl-4-phenyl-1,3-oxazol-2-amine

Systemtic Name: ethane-1,2-disulfonic acid; N,N,5-triethyl-4-phenyl-1,3-oxazol-2-amine Openeye Name: ethane-1,2-disulfonic acid; N,N,5-triethyl-4-phenyl-oxazol-2-amine CAS Name: ethane-1,2-disulfonic acid; N,N,5-triethyl-4-phenyl-2-oxazolamine IUPAC Name: ethane-1,2-disulfonic acid; N,N,5-triethyl-4-phenyl-1,3-oxazol-2-amine Traditional Name: diethyl-(5-ethyl-4-phenyl-oxazol-2-yl)amine; ethane-1,2-disulfonic acid Formula: C17H26N2O7S2 MolecularWeight: 434.52754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(O1)N(CC)CC)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC1=C(N=C(O1)N(CC)CC)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H20N2O.C2H6O6S2/c1-4-13-14(12-10-8-7-9-11-12)16-15(18-13)17(5-2)6-3;3-9(4,5)1-2-10(6,7)8/h7-11H,4-6H2,1-3H3;1-2H2,(H,3,4,5)(H,6,7,8)