cyanomethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: cyanomethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: cyanomethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid cyanomethyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC#N

InChI

InChI=1S/C17H15NO5S/c1-12-3-4-13(2)16(11-12)24(20,21)23-15-7-5-14(6-8-15)17(19)22-10-9-18/h3-8,11H,10H2,1-2H3