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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3(CC4(O3)CCO4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3(CC4(O3)CCO4)C#N

InChI

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