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

Systemtic Name: ethane-1,2-disulfonic acid; 5-methyl-4-phenyl-1,3-oxazole Openeye Name: ethane-1,2-disulfonic acid; 5-methyl-4-phenyl-oxazole CAS Name: ethane-1,2-disulfonic acid; 5-methyl-4-phenyloxazole IUPAC Name: ethane-1,2-disulfonic acid; 5-methyl-4-phenyl-1,3-oxazole Traditional Name: ethane-1,2-disulfonic acid; 5-methyl-4-phenyl-oxazole Formula: C22H24N2O8S2 MolecularWeight: 508.56456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CO1)C2=CC=CC=C2.CC1=C(N=CO1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CO1)C2=CC=CC=C2.CC1=C(N=CO1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/2C10H9NO.C2H6O6S2/c2*1-8-10(11-7-12-8)9-5-3-2-4-6-9;3-9(4,5)1-2-10(6,7)8/h2*2-7H,1H3;1-2H2,(H,3,4,5)(H,6,7,8)