6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate; 1-(octoxymethyl)pyridin-1-ium-3-ol

Systemtic Name: 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate; 1-(octoxymethyl)pyridin-1-ium-3-ol Openeye Name: 6-methyl-2,2-dioxo-oxathiazin-4-olate; 1-(octoxymethyl)pyridin-1-ium-3-ol CAS Name: 6-methyl-2,2-dioxo-4-oxathiazinolate; 1-(octoxymethyl)-3-pyridin-1-iumol IUPAC Name: 6-methyl-2,2-dioxooxathiazin-4-olate; 1-(octoxymethyl)pyridin-1-ium-3-ol Traditional Name: 2,2-diketo-6-methyl-oxathiazin-4-olate; 1-(octoxymethyl)pyridin-1-ium-3-ol Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC[N+]1=CC=CC(=C1)O.CC1=CC(=NS(=O)(=O)O1)[O-]

Isomeric SMILES

CCCCCCCCOC[N+]1=CC=CC(=C1)O.CC1=CC(=NS(=O)(=O)O1)[O-]

InChI

InChI=1S/C14H23NO2.C4H5NO4S/c1-2-3-4-5-6-7-11-17-13-15-10-8-9-14(16)12-15;1-3-2-4(6)5-10(7,8)9-3/h8-10,12H,2-7,11,13H2,1H3;2H,1H3,(H,5,6)