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

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfonylbenzenesulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C18H16O7S2 MolecularWeight: 408.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O7S2/c1-11-12(2)18(19)24-17-10-13(4-9-16(11)17)25-27(22,23)15-7-5-14(6-8-15)26(3,20)21/h4-10H,1-3H3