(4-methyl-2-nitro-phenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7S/c1-11-3-5-14(13(9-11)17(18)19)24-25(20,21)12-4-6-15-16(10-12)23-8-2-7-22-15/h3-6,9-10H,2,7-8H2,1H3