(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O5S/c1-4-14-10-16-13(3)9-19(20)23-18(16)11-17(14)24-25(21,22)15-7-5-12(2)6-8-15/h5-11H,4H2,1-3H3