5-(2-chloroethyl)-4-phenyl-1,3-thiazole; ethane-1,2-disulfonic acid

Systemtic Name: 5-(2-chloroethyl)-4-phenyl-1,3-thiazole; ethane-1,2-disulfonic acid Openeye Name: 5-(2-chloroethyl)-4-phenyl-thiazole; ethane-1,2-disulfonic acid CAS Name: 5-(2-chloroethyl)-4-phenylthiazole; ethane-1,2-disulfonic acid IUPAC Name: 5-(2-chloroethyl)-4-phenyl-1,3-thiazole; ethane-1,2-disulfonic acid Traditional Name: 5-(2-chloroethyl)-4-phenyl-thiazole; ethane-1,2-disulfonic acid Formula: C13H16ClNO6S3 MolecularWeight: 413.91724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC=N2)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC=N2)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H10ClNS.C2H6O6S2/c12-7-6-10-11(13-8-14-10)9-4-2-1-3-5-9;3-9(4,5)1-2-10(6,7)8/h1-5,8H,6-7H2;1-2H2,(H,3,4,5)(H,6,7,8)