[1,9,9-trimethyl-7,11-bis(oxidanylidene)-8,10-dioxa-5-azaspiro[5.5]undec-2-en-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,9,9-trimethyl-7,11-bis(oxidanylidene)-8,10-dioxa-5-azaspiro[5.5]undec-2-en-5-yl] 4-methylbenzenesulfonate Openeye Name: (1,9,9-trimethyl-7,11-dioxo-8,10-dioxa-5-azaspiro[5.5]undec-2-en-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,9,9-trimethyl-7,11-dioxo-8,10-dioxa-5-azaspiro[5.5]undec-2-en-5-yl) ester IUPAC Name: (1,9,9-trimethyl-7,11-dioxo-8,10-dioxa-5-azaspiro[5.5]undec-2-en-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7,11-diketo-1,9,9-trimethyl-8,10-dioxa-5-azaspiro[5.5]undec-2-en-5-yl) ester Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCN(C12C(=O)OC(OC2=O)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1C=CCN(C12C(=O)OC(OC2=O)(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H21NO7S/c1-12-7-9-14(10-8-12)27(22,23)26-19-11-5-6-13(2)18(19)15(20)24-17(3,4)25-16(18)21/h5-10,13H,11H2,1-4H3