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

Systemtic Name: 5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-oxazole; ethane-1,2-disulfonic acid Openeye Name: 5-(2-chloroethyl)-4-methyl-2-phenyl-oxazole; ethane-1,2-disulfonic acid CAS Name: 5-(2-chloroethyl)-4-methyl-2-phenyloxazole; ethane-1,2-disulfonic acid IUPAC Name: 5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-oxazole; ethane-1,2-disulfonic acid Traditional Name: 5-(2-chloroethyl)-4-methyl-2-phenyl-oxazole; ethane-1,2-disulfonic acid Formula: C26H30Cl2N2O8S2 MolecularWeight: 633.561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)C2=CC=CC=C2)CCCl.CC1=C(OC(=N1)C2=CC=CC=C2)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(OC(=N1)C2=CC=CC=C2)CCCl.CC1=C(OC(=N1)C2=CC=CC=C2)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/2C12H12ClNO.C2H6O6S2/c2*1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10;3-9(4,5)1-2-10(6,7)8/h2*2-6H,7-8H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)