(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-fluoranylbenzenesulfonate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-fluoranylbenzenesulfonate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 3-fluorobenzenesulfonate CAS Name: 3-fluorobenzenesulfonic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3-fluorobenzenesulfonate Traditional Name: 3-fluorobenzenesulfonic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C18H15FO5S MolecularWeight: 362.372103

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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=CC(=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H15FO5S/c1-3-12-8-15-11(2)7-18(20)23-17(15)10-16(12)24-25(21,22)14-6-4-5-13(19)9-14/h4-10H,3H2,1-2H3