(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1,3,5-trimethylpyrazole-4-sulfonate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1,3,5-trimethylpyrazole-4-sulfonate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 1,3,5-trimethylpyrazole-4-sulfonate CAS Name: 1,3,5-trimethyl-4-pyrazolesulfonic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 1,3,5-trimethylpyrazole-4-sulfonate Traditional Name: 1,3,5-trimethylpyrazole-4-sulfonic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OS(=O)(=O)C3=C(N(N=C3C)C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OS(=O)(=O)C3=C(N(N=C3C)C)C

InChI

InChI=1S/C18H20N2O5S/c1-6-13-8-14-10(2)7-17(21)24-16(14)9-15(13)25-26(22,23)18-11(3)19-20(5)12(18)4/h7-9H,6H2,1-5H3