ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-thiazol-2-amine

Systemtic Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-thiazol-2-amine Openeye Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-thiazol-2-amine CAS Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-2-thiazolamine IUPAC Name: ethane-1,2-disulfonic acid; 5-ethyl-4-phenyl-1,3-thiazol-2-amine Traditional Name: ethane-1,2-disulfonic acid; (5-ethyl-4-phenyl-thiazol-2-yl)amine Formula: C13H18N2O6S3 MolecularWeight: 394.48682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)N)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC1=C(N=C(S1)N)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H12N2S.C2H6O6S2/c1-2-9-10(13-11(12)14-9)8-6-4-3-5-7-8;3-9(4,5)1-2-10(6,7)8/h3-7H,2H2,1H3,(H2,12,13);1-2H2,(H,3,4,5)(H,6,7,8)