5-(2-chloroethyl)-4-methyl-1,3-oxazole; ethane-1,2-disulfonate

Systemtic Name: 5-(2-chloroethyl)-4-methyl-1,3-oxazole; ethane-1,2-disulfonate Openeye Name: 5-(2-chloroethyl)-4-methyl-oxazole; ethane-1,2-disulfonate CAS Name: 5-(2-chloroethyl)-4-methyloxazole; ethane-1,2-disulfonate IUPAC Name: 5-(2-chloroethyl)-4-methyl-1,3-oxazole; ethane-1,2-disulfonate Traditional Name: 5-(2-chloroethyl)-4-methyl-oxazole; ethane-1,2-disulfonate Formula: C14H20Cl2N2O8S2-2 MolecularWeight: 479.3532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=N1)CCCl.CC1=C(OC=N1)CCCl.C(CS(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(OC=N1)CCCl.CC1=C(OC=N1)CCCl.C(CS(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/2C6H8ClNO.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;3-9(4,5)1-2-10(6,7)8/h2*4H,2-3H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)/p-2