(3-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: (3-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (3-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (3-nitrophenyl) ester Formula: C15H13NO7S MolecularWeight: 351.33122

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C15H13NO7S/c17-16(18)11-3-1-4-12(9-11)23-24(19,20)13-5-6-14-15(10-13)22-8-2-7-21-14/h1,3-6,9-10H,2,7-8H2