5-oxidanylidene-4H-1,5-benzothiazepin-5-ium-2,3-diol

Systemtic Name: 5-oxidanylidene-4H-1,5-benzothiazepin-5-ium-2,3-diol Openeye Name: 5-oxo-4H-1,5-benzothiazepin-5-ium-2,3-diol CAS Name: 5-oxo-4H-1,5-benzothiazepin-5-ium-2,3-diol IUPAC Name: 5-oxo-4H-1,5-benzothiazepin-5-ium-2,3-diol Traditional Name: 5-keto-4H-1,5-benzothiazepin-5-ium-2,3-diol Formula: C9H8NO3S+ MolecularWeight: 210.22972

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(SC2=CC=CC=C2[N+]1=O)O)O

Isomeric SMILES

C1C(=C(SC2=CC=CC=C2[N+]1=O)O)O

InChI

InChI=1S/C9H7NO3S/c11-7-5-10(13)6-3-1-2-4-8(6)14-9(7)12/h1-4H,5H2,(H-,11,12)/p+1