(2,2-dimethyl-4-oxidanylidene-3H-chromen-7-yl) benzenesulfonate

Systemtic Name: (2,2-dimethyl-4-oxidanylidene-3H-chromen-7-yl) benzenesulfonate Openeye Name: (2,2-dimethyl-4-oxo-chroman-7-yl) benzenesulfonate CAS Name: benzenesulfonic acid (2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (2,2-dimethyl-4-oxo-3H-chromen-7-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-keto-2,2-dimethyl-chroman-7-yl) ester Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H16O5S/c1-17(2)11-15(18)14-9-8-12(10-16(14)21-17)22-23(19,20)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3