3-[(2R,3R,4R)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-6-nitro-1,3-benzoxazole-2-thione

Systemtic Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-6-nitro-1,3-benzoxazole-2-thione Openeye Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-6-nitro-1,3-benzoxazole-2-thione CAS Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-6-nitro-1,3-benzoxazole-2-thione IUPAC Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-6-nitro-1,3-benzoxazole-2-thione Traditional Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-6-nitro-1,3-benzoxazole-2-thione Formula: C20H19N3O9S MolecularWeight: 477.44456

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=S)O)C(OC)OC

Isomeric SMILES

C[C@@]1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=S)O)C(OC)OC

InChI

InChI=1S/C20H19N3O9S/c1-20(18(29-2)30-3)17(24)16(12-8-10(22(25)26)5-7-14(12)32-20)21-13-6-4-11(23(27)28)9-15(13)31-19(21)33/h4-9,16-18,24H,1-3H3/t16-,17-,20-/m1/s1