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

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C15H12ClNO7S MolecularWeight: 385.77628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO7S/c16-12-8-10(17(18)19)2-4-13(12)24-25(20,21)11-3-5-14-15(9-11)23-7-1-6-22-14/h2-5,8-9H,1,6-7H2