[[4-(4-methoxy-2-methyl-phenyl)-5-oxidanylidene-1,3,4-oxadiazol-2-yl]-oxidanyl-methyl] 4-methylbenzenesulfonate

Systemtic Name: [[4-(4-methoxy-2-methyl-phenyl)-5-oxidanylidene-1,3,4-oxadiazol-2-yl]-oxidanyl-methyl] 4-methylbenzenesulfonate Openeye Name: [hydroxy-[4-(4-methoxy-2-methyl-phenyl)-5-oxo-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[4-(4-methoxy-2-methylphenyl)-5-oxo-1,3,4-oxadiazol-2-yl]methyl] ester IUPAC Name: [hydroxy-[4-(4-methoxy-2-methylphenyl)-5-oxo-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [hydroxy-[5-keto-4-(4-methoxy-2-methyl-phenyl)-1,3,4-oxadiazol-2-yl]methyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=NN(C(=O)O2)C3=C(C=C(C=C3)OC)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=NN(C(=O)O2)C3=C(C=C(C=C3)OC)C)O

InChI

InChI=1S/C18H18N2O7S/c1-11-4-7-14(8-5-11)28(23,24)27-17(21)16-19-20(18(22)26-16)15-9-6-13(25-3)10-12(15)2/h4-10,17,21H,1-3H3