2,2,6,8-tetramethyl-7-(nitromethylsulfonyl)-4,5-dihydro-3H-1-benzoxepine

Systemtic Name: 2,2,6,8-tetramethyl-7-(nitromethylsulfonyl)-4,5-dihydro-3H-1-benzoxepine Openeye Name: 2,2,6,8-tetramethyl-7-(nitromethylsulfonyl)-4,5-dihydro-3H-1-benzoxepine CAS Name: 2,2,6,8-tetramethyl-7-(nitromethylsulfonyl)-4,5-dihydro-3H-1-benzoxepin IUPAC Name: 2,2,6,8-tetramethyl-7-(nitromethylsulfonyl)-4,5-dihydro-3H-1-benzoxepine Traditional Name: 2,2,6,8-tetramethyl-7-(nitromethylsulfonyl)-4,5-dihydro-3H-1-benzoxepin Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCCC(O2)(C)C)C(=C1S(=O)(=O)C[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(CCCC(O2)(C)C)C(=C1S(=O)(=O)C[N+](=O)[O-])C

InChI

InChI=1S/C15H21NO5S/c1-10-8-13-12(6-5-7-15(3,4)21-13)11(2)14(10)22(19,20)9-16(17)18/h8H,5-7,9H2,1-4H3