(4-methyl-2-oxidanylidene-chromen-7-yl) 4-tert-butylbenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-tert-butylbenzenesulfonate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H20O5S/c1-13-11-19(21)24-18-12-15(7-10-17(13)18)25-26(22,23)16-8-5-14(6-9-16)20(2,3)4/h5-12H,1-4H3