N,N-diethyl-5-methyl-4-phenyl-1,3-oxazol-2-amine; ethane-1,2-disulfonate

Systemtic Name: N,N-diethyl-5-methyl-4-phenyl-1,3-oxazol-2-amine; ethane-1,2-disulfonate Openeye Name: N,N-diethyl-5-methyl-4-phenyl-oxazol-2-amine; ethane-1,2-disulfonate CAS Name: N,N-diethyl-5-methyl-4-phenyl-2-oxazolamine; ethane-1,2-disulfonate IUPAC Name: N,N-diethyl-5-methyl-4-phenyl-1,3-oxazol-2-amine; ethane-1,2-disulfonate Traditional Name: diethyl-(5-methyl-4-phenyl-oxazol-2-yl)amine; ethane-1,2-disulfonate Formula: C30H40N4O8S2-2 MolecularWeight: 648.7906

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=C(O1)C)C2=CC=CC=C2.CCN(CC)C1=NC(=C(O1)C)C2=CC=CC=C2.C(CS(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=NC(=C(O1)C)C2=CC=CC=C2.CCN(CC)C1=NC(=C(O1)C)C2=CC=CC=C2.C(CS(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/2C14H18N2O.C2H6O6S2/c2*1-4-16(5-2)14-15-13(11(3)17-14)12-9-7-6-8-10-12;3-9(4,5)1-2-10(6,7)8/h2*6-10H,4-5H2,1-3H3;1-2H2,(H,3,4,5)(H,6,7,8)/p-2