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

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-cyanobenzenesulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C18H13NO5S MolecularWeight: 355.36452

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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)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO5S/c1-11-12(2)18(20)23-17-9-14(5-8-16(11)17)24-25(21,22)15-6-3-13(10-19)4-7-15/h3-9H,1-2H3