1-cyanoethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: 1-cyanoethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: 1-cyanoethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid 1-cyanoethyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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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)OC(C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-12-4-5-13(2)17(10-12)25(21,22)24-16-8-6-15(7-9-16)18(20)23-14(3)11-19/h4-10,14H,1-3H3