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(4-nitrooxy-3,5-diphenoxy-6-sulfanyl-oxan-2-yl)methyl nitrate

(4-nitrooxy-3,5-diphenoxy-6-sulfanyl-oxan-2-yl)methyl nitrate

Systemtic Name:(4-nitrooxy-3,5-diphenoxy-6-sulfanyl-oxan-2-yl)methyl nitrate
Openeye Name:(4-nitrooxy-3,5-diphenoxy-6-sulfanyl-tetrahydropyran-2-yl)methyl nitrate
CAS Name:nitric acid (6-mercapto-4-nitrooxy-3,5-diphenoxy-2-oxanyl)methyl ester
IUPAC Name:(4-nitrooxy-3,5-diphenoxy-6-sulfanyloxan-2-yl)methyl nitrate
Traditional Name:nitric acid (6-mercapto-4-nitrooxy-3,5-diphenoxy-tetrahydropyran-2-yl)methyl ester
Formula: C18H18N2O9S
MolecularWeight: 438.40852
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2C(OC(C(C2O[N+](=O)[O-])OC3=CC=CC=C3)S)CO[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)OC2C(OC(C(C2O[N+](=O)[O-])OC3=CC=CC=C3)S)CO[N+](=O)[O-]


InChI

InChI=1S/C18H18N2O9S/c21-19(22)25-11-14-15(26-12-7-3-1-4-8-12)16(29-20(23)24)17(18(30)28-14)27-13-9-5-2-6-10-13/h1-10,14-18,30H,11H2


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