9-bromanyl-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-6-ol

Systemtic Name: 9-bromanyl-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Openeye Name: 9-bromo-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-6-ol CAS Name: 9-bromo-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-6-ol IUPAC Name: 9-bromo-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Traditional Name: 9-bromo-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Formula: C14H10BrNO3S MolecularWeight: 352.2031

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=C(C=C2)Br)SC3=C1C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C(C2=C(C=C(C=C2)Br)SC3=C1C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H10BrNO3S/c15-9-1-3-11-12(17)6-8-5-10(16(18)19)2-4-13(8)20-14(11)7-9/h1-5,7,12,17H,6H2