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

Systemtic Name: 5-(2-chloroethyl)-4-phenyl-1,3-thiazole; ethane-1,1-disulfonate Openeye Name: 5-(2-chloroethyl)-4-phenyl-thiazole; ethane-1,1-disulfonate CAS Name: 5-(2-chloroethyl)-4-phenylthiazole; ethane-1,1-disulfonate IUPAC Name: 5-(2-chloroethyl)-4-phenyl-1,3-thiazole; ethane-1,1-disulfonate Traditional Name: 5-(2-chloroethyl)-4-phenyl-thiazole; ethane-1,1-disulfonate Formula: C24H24Cl2N2O6S4-2 MolecularWeight: 635.62316

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Descriptors Computed from Structure

Canonical SMILES:

CC(S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(SC=N2)CCCl.C1=CC=C(C=C1)C2=C(SC=N2)CCCl

Isomeric SMILES

CC(S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(SC=N2)CCCl.C1=CC=C(C=C1)C2=C(SC=N2)CCCl

InChI

InChI=1S/2C11H10ClNS.C2H6O6S2/c2*12-7-6-10-11(13-8-14-10)9-4-2-1-3-5-9;1-2(9(3,4)5)10(6,7)8/h2*1-5,8H,6-7H2;2H,1H3,(H,3,4,5)(H,6,7,8)/p-2