(3S,4R)-2,2-dimethyl-7-nitro-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid

Systemtic Name: (3S,4R)-2,2-dimethyl-7-nitro-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid Openeye Name: (3S,4R)-2,2-dimethyl-7-nitro-4-pyrrolidin-1-yl-chroman-3-ol; methanesulfonic acid CAS Name: (3S,4R)-2,2-dimethyl-7-nitro-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-3-ol; methanesulfonic acid IUPAC Name: (3S,4R)-2,2-dimethyl-7-nitro-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid Traditional Name: (3S,4R)-2,2-dimethyl-7-nitro-4-pyrrolidino-chroman-3-ol; mesylic acid Formula: C16H24N2O7S MolecularWeight: 388.43596

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C=C2)[N+](=O)[O-])N3CCCC3)O)C.CS(=O)(=O)O

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)[N+](=O)[O-])N3CCCC3)O)C.CS(=O)(=O)O

InChI

InChI=1S/C15H20N2O4.CH4O3S/c1-15(2)14(18)13(16-7-3-4-8-16)11-6-5-10(17(19)20)9-12(11)21-15;1-5(2,3)4/h5-6,9,13-14,18H,3-4,7-8H2,1-2H3;1H3,(H,2,3,4)/t13-,14+;/m1./s1