(2-cyanopyrrol-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-cyanopyrrol-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-cyanopyrrol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyano-1-pyrrolyl) ester IUPAC Name: (2-cyanopyrrol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyanopyrrol-1-yl) ester Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C=CC=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C=CC=C2C#N

InChI

InChI=1S/C12H10N2O3S/c1-10-4-6-12(7-5-10)18(15,16)17-14-8-2-3-11(14)9-13/h2-8H,1H3