6-chloranyl-8-[(4-nitrophenyl)sulfanylmethyl]-3,4-dihydro-2H-1,5-benzodioxepine

Systemtic Name: 6-chloranyl-8-[(4-nitrophenyl)sulfanylmethyl]-3,4-dihydro-2H-1,5-benzodioxepine Openeye Name: 6-chloro-8-[(4-nitrophenyl)sulfanylmethyl]-3,4-dihydro-2H-1,5-benzodioxepine CAS Name: 6-chloro-8-[[(4-nitrophenyl)thio]methyl]-3,4-dihydro-2H-1,5-benzodioxepin IUPAC Name: 6-chloro-8-[(4-nitrophenyl)sulfanylmethyl]-3,4-dihydro-2H-1,5-benzodioxepine Traditional Name: 6-chloro-8-[[(4-nitrophenyl)thio]methyl]-3,4-dihydro-2H-1,5-benzodioxepin Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C16H14ClNO4S/c17-14-8-11(9-15-16(14)22-7-1-6-21-15)10-23-13-4-2-12(3-5-13)18(19)20/h2-5,8-9H,1,6-7,10H2