[5-[2-[[3-methyl-3-(3-methyl-2-sulfanyl-phenoxy)-2-oxidanyl-butan-2-yl]amino]ethylamino]-5-oxidanylidene-pentyl] nitrate

Systemtic Name: [5-[2-[[3-methyl-3-(3-methyl-2-sulfanyl-phenoxy)-2-oxidanyl-butan-2-yl]amino]ethylamino]-5-oxidanylidene-pentyl] nitrate Openeye Name: [5-[2-[[1-hydroxy-1,2-dimethyl-2-(3-methyl-2-sulfanyl-phenoxy)propyl]amino]ethylamino]-5-oxo-pentyl] nitrate CAS Name: nitric acid [5-[2-[[2-hydroxy-3-(2-mercapto-3-methylphenoxy)-3-methylbutan-2-yl]amino]ethylamino]-5-oxopentyl] ester IUPAC Name: [5-[2-[[2-hydroxy-3-methyl-3-(3-methyl-2-sulfanylphenoxy)butan-2-yl]amino]ethylamino]-5-oxopentyl] nitrate Traditional Name: nitric acid [5-[2-[[1-hydroxy-2-(2-mercapto-3-methyl-phenoxy)-1,2-dimethyl-propyl]amino]ethylamino]-5-keto-pentyl] ester Formula: C19H31N3O6S MolecularWeight: 429.53094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)(C)C(C)(NCCNC(=O)CCCCO[N+](=O)[O-])O)S

Isomeric SMILES

CC1=C(C(=CC=C1)OC(C)(C)C(C)(NCCNC(=O)CCCCO[N+](=O)[O-])O)S

InChI

InChI=1S/C19H31N3O6S/c1-14-8-7-9-15(17(14)29)28-18(2,3)19(4,24)21-12-11-20-16(23)10-5-6-13-27-22(25)26/h7-9,21,24,29H,5-6,10-13H2,1-4H3,(H,20,23)