(E)-2-oxidanyl-2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethenediazonium

Systemtic Name: (E)-2-oxidanyl-2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethenediazonium Openeye Name: (E)-2-hydroxy-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethenediazonium CAS Name: (E)-2-hydroxy-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethenediazonium IUPAC Name: (E)-2-hydroxy-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethenediazonium Traditional Name: (E)-2-hydroxy-2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)ethenediazonium Formula: C16H11N2O2S+ MolecularWeight: 295.33574

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=C[N+]#N)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)/C(=C\[N+]#N)/O

InChI

InChI=1S/C16H10N2O2S/c17-18-8-14(19)10-5-6-13-15(7-10)21-9-11-3-1-2-4-12(11)16(13)20/h1-8H,9H2/p+1/b14-8+