(1R,4R)-3-oxidanylidene-1-phenyl-7-oxa-2-azaspiro[3.4]octane-2-sulfonate; tetrabutylazanium

Systemtic Name: (1R,4R)-3-oxidanylidene-1-phenyl-7-oxa-2-azaspiro[3.4]octane-2-sulfonate; tetrabutylazanium Openeye Name: (1R,4R)-3-oxo-1-phenyl-7-oxa-2-azaspiro[3.4]octane-2-sulfonate; tetrabutylammonium CAS Name: (1R,4R)-3-oxo-1-phenyl-7-oxa-2-azaspiro[3.4]octane-2-sulfonate; tetrabutylammonium IUPAC Name: (1R,4R)-3-oxo-1-phenyl-7-oxa-2-azaspiro[3.4]octane-2-sulfonate; tetrabutylazanium Traditional Name: (1R,4R)-3-keto-1-phenyl-7-oxa-2-azaspiro[3.4]octane-2-sulfonate; tetrabutylammonium Formula: C28H48N2O5S MolecularWeight: 524.75612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1COCC12C(N(C2=O)S(=O)(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1COC[C@]12[C@H](N(C2=O)S(=O)(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H36N.C12H13NO5S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;14-11-12(6-7-18-8-12)10(13(11)19(15,16)17)9-4-2-1-3-5-9/h5-16H2,1-4H3;1-5,10H,6-8H2,(H,15,16,17)/q+1;/p-1/t;10-,12+/m.1/s1