3-oxidanyl-11,11-bis(oxidanylidene)benzo[b][1]benzothiepine-9-carbonitrile

Systemtic Name: 3-oxidanyl-11,11-bis(oxidanylidene)benzo[b][1]benzothiepine-9-carbonitrile Openeye Name: 3-hydroxy-11,11-dioxo-benzo[b][1]benzothiepine-9-carbonitrile CAS Name: 3-hydroxy-11,11-dioxo-9-benzo[b][1]benzothiepincarbonitrile IUPAC Name: 3-hydroxy-11,11-dioxobenzo[b][1]benzothiepine-9-carbonitrile Traditional Name: 3-hydroxy-11,11-diketo-benzo[b][1]benzothiepin-9-carbonitrile Formula: C15H9NO3S MolecularWeight: 283.30186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C(S2(=O)=O)C=CC(=C3)O)C#N

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C(S2(=O)=O)C=CC(=C3)O)C#N

InChI

InChI=1S/C15H9NO3S/c16-9-10-1-2-11-3-4-12-8-13(17)5-6-14(12)20(18,19)15(11)7-10/h1-8,17H