2-(3-nitrophenyl)-1,3-benzoxathiol-1-ium

Systemtic Name: 2-(3-nitrophenyl)-1,3-benzoxathiol-1-ium Openeye Name: 2-(3-nitrophenyl)-1,3-benzoxathiol-1-ium CAS Name: 2-(3-nitrophenyl)-1,3-benzoxathiol-1-ium IUPAC Name: 2-(3-nitrophenyl)-1,3-benzoxathiol-1-ium Traditional Name: 2-(3-nitrophenyl)-1,3-benzoxathiol-1-ium Formula: C13H8NO3S+ MolecularWeight: 258.27252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[O+]=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[O+]=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8NO3S/c15-14(16)10-5-3-4-9(8-10)13-17-11-6-1-2-7-12(11)18-13/h1-8H/q+1