7-(2,4-dinitrophenyl)sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine

Systemtic Name: 7-(2,4-dinitrophenyl)sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine Openeye Name: 7-(2,4-dinitrophenyl)sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine CAS Name: 7-[(2,4-dinitrophenyl)thio]-3,4-dihydro-2H-1,5-benzodioxepin IUPAC Name: 7-(2,4-dinitrophenyl)sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine Traditional Name: 7-[(2,4-dinitrophenyl)thio]-3,4-dihydro-2H-1,5-benzodioxepin Formula: C15H12N2O6S MolecularWeight: 348.33058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC1

InChI

InChI=1S/C15H12N2O6S/c18-16(19)10-2-5-15(12(8-10)17(20)21)24-11-3-4-13-14(9-11)23-7-1-6-22-13/h2-5,8-9H,1,6-7H2