(6-cyano-6-phenyl-3,7-dioxaspiro[3.3]heptan-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-cyano-6-phenyl-3,7-dioxaspiro[3.3]heptan-5-yl) 4-methylbenzenesulfonate Openeye Name: (6-cyano-6-phenyl-3,7-dioxaspiro[3.3]heptan-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-cyano-6-phenyl-3,7-dioxaspiro[3.3]heptan-5-yl) ester IUPAC Name: (6-cyano-6-phenyl-3,7-dioxaspiro[3.3]heptan-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-cyano-6-phenyl-3,7-dioxaspiro[3.3]heptan-5-yl) ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3(CCO3)OC2(C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3(CCO3)OC2(C#N)C4=CC=CC=C4

InChI

InChI=1S/C19H17NO5S/c1-14-7-9-16(10-8-14)26(21,22)24-17-18(13-20,15-5-3-2-4-6-15)25-19(17)11-12-23-19/h2-10,17H,11-12H2,1H3