2-thioxanthen-10-ium-1-ylbenzoic acid

Systemtic Name: 2-thioxanthen-10-ium-1-ylbenzoic acid Openeye Name: 2-thioxanthen-10-ium-1-ylbenzoic acid CAS Name: 2-(1-thioxanthen-10-iumyl)benzoic acid IUPAC Name: 2-thioxanthen-10-ium-1-ylbenzoic acid Traditional Name: 2-thioxanthen-10-ium-1-ylbenzoic acid Formula: C20H13O2S+ MolecularWeight: 317.38102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C(=[S+]2)C=CC=C3C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C(=[S+]2)C=CC=C3C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H12O2S/c21-20(22)16-8-3-2-7-14(16)15-9-5-11-19-17(15)12-13-6-1-4-10-18(13)23-19/h1-12H/p+1