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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H18O6S/c1-3-13-7-8-17-15(11-19(21)26-18(17)9-13)12-25-20(22)14-5-4-6-16(10-14)27(2,23)24/h4-11H,3,12H2,1-2H3