3-cyanopropyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: 3-cyanopropyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: 3-cyanopropyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid 3-cyanopropyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCCCC#N

InChI

InChI=1S/C19H19NO5S/c1-14-9-10-15(2)18(13-14)26(22,23)25-17-8-4-3-7-16(17)19(21)24-12-6-5-11-20/h3-4,7-10,13H,5-6,12H2,1-2H3