4-[6-(4-methoxyphenyl)-2-sulfanylidene-1H-1,3,5-triazin-3-ium-3-yl]benzoic acid

Systemtic Name: 4-[6-(4-methoxyphenyl)-2-sulfanylidene-1H-1,3,5-triazin-3-ium-3-yl]benzoic acid Openeye Name: 4-[6-(4-methoxyphenyl)-2-thioxo-1H-1,3,5-triazin-3-ium-3-yl]benzoic acid CAS Name: 4-[6-(4-methoxyphenyl)-2-sulfanylidene-1H-1,3,5-triazin-3-ium-3-yl]benzoic acid IUPAC Name: 4-[6-(4-methoxyphenyl)-2-sulfanylidene-1H-1,3,5-triazin-3-ium-3-yl]benzoic acid Traditional Name: 4-[6-(4-methoxyphenyl)-2-thioxo-1H-s-triazin-3-ium-3-yl]benzoic acid Formula: C17H14N3O3S+ MolecularWeight: 340.37636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=[N+](C(=S)N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=[N+](C(=S)N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N3O3S/c1-23-14-8-4-11(5-9-14)15-18-10-20(17(24)19-15)13-6-2-12(3-7-13)16(21)22/h2-10H,1H3,(H,21,22)/p+1