8-(3,3-dimethyl-7-nitro-1,2-benzoselenazol-2-yl)octan-1-ol; methanesulfonic acid

Systemtic Name: 8-(3,3-dimethyl-7-nitro-1,2-benzoselenazol-2-yl)octan-1-ol; methanesulfonic acid Openeye Name: 8-(3,3-dimethyl-7-nitro-1,2-benzoselenazol-2-yl)octan-1-ol; methanesulfonic acid CAS Name: 8-(3,3-dimethyl-7-nitro-1,2-benzoselenazol-2-yl)-1-octanol; methanesulfonic acid IUPAC Name: 8-(3,3-dimethyl-7-nitro-1,2-benzoselenazol-2-yl)octan-1-ol; methanesulfonic acid Traditional Name: 8-(3,3-dimethyl-7-nitro-1,2-benzoselenazol-2-yl)octan-1-ol; mesylic acid Formula: C18H30N2O6SSe MolecularWeight: 481.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC=C2)[N+](=O)[O-])[Se]N1CCCCCCCCO)C.CS(=O)(=O)O

Isomeric SMILES

CC1(C2=C(C(=CC=C2)[N+](=O)[O-])[Se]N1CCCCCCCCO)C.CS(=O)(=O)O

InChI

InChI=1S/C17H26N2O3Se.CH4O3S/c1-17(2)14-10-9-11-15(19(21)22)16(14)23-18(17)12-7-5-3-4-6-8-13-20;1-5(2,3)4/h9-11,20H,3-8,12-13H2,1-2H3;1H3,(H,2,3,4)