[1-cyano-2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [1-cyano-2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)ethyl] 4-methylbenzenesulfonate Openeye Name: [1-cyano-2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-cyano-2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)ethyl] ester IUPAC Name: [1-cyano-2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-cyano-2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)ethyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2(CCC3(CC2)OCCO3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2(CCC3(CC2)OCCO3)C)C#N

InChI

InChI=1S/C19H25NO5S/c1-15-3-5-17(6-4-15)26(21,22)25-16(14-20)13-18(2)7-9-19(10-8-18)23-11-12-24-19/h3-6,16H,7-13H2,1-2H3