(3S,4R)-4-(tert-butylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid

Systemtic Name: (3S,4R)-4-(tert-butylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid Openeye Name: (3S,4R)-4-(tert-butylamino)-2,2-dimethyl-6-nitro-chroman-3-ol; methanesulfonic acid CAS Name: (3S,4R)-4-(tert-butylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol; methanesulfonic acid IUPAC Name: (3S,4R)-4-(tert-butylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol; methanesulfonic acid Traditional Name: (3S,4R)-4-(tert-butylamino)-2,2-dimethyl-6-nitro-chroman-3-ol; mesylic acid Formula: C16H26N2O7S MolecularWeight: 390.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC(C)(C)C)O)C.CS(=O)(=O)O

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC(C)(C)C)O)C.CS(=O)(=O)O

InChI

InChI=1S/C15H22N2O4.CH4O3S/c1-14(2,3)16-12-10-8-9(17(19)20)6-7-11(10)21-15(4,5)13(12)18;1-5(2,3)4/h6-8,12-13,16,18H,1-5H3;1H3,(H,2,3,4)/t12-,13+;/m1./s1