3-isocyano-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol

Systemtic Name: 3-isocyano-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol Openeye Name: 3-isocyano-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol CAS Name: 3-isocyano-5,6-dihydrobenzo[b][1]benzothiepin-7,9-diol IUPAC Name: 3-isocyano-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol Traditional Name: 3-isocyano-5,6-dihydrobenzo[b][1]benzothiepin-7,9-diol Formula: C15H11NO2S MolecularWeight: 269.31834

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)SC3=CC(=CC(=C3CC2)O)O

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)SC3=CC(=CC(=C3CC2)O)O

InChI

InChI=1S/C15H11NO2S/c1-16-10-3-5-14-9(6-10)2-4-12-13(18)7-11(17)8-15(12)19-14/h3,5-8,17-18H,2,4H2