2-(2-sulfophenyl)-6-(1,3,5-triazin-2-ylamino)benzenesulfonic acid

Systemtic Name: 2-(2-sulfophenyl)-6-(1,3,5-triazin-2-ylamino)benzenesulfonic acid Openeye Name: 2-(2-sulfophenyl)-6-(1,3,5-triazin-2-ylamino)benzenesulfonic acid CAS Name: 2-(2-sulfophenyl)-6-(1,3,5-triazin-2-ylamino)benzenesulfonic acid IUPAC Name: 2-(2-sulfophenyl)-6-(1,3,5-triazin-2-ylamino)benzenesulfonic acid Traditional Name: 2-(s-triazin-2-ylamino)-6-(2-sulfophenyl)besylic acid Formula: C15H12N4O6S2 MolecularWeight: 408.40898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=CC=C2)NC3=NC=NC=N3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=CC=C2)NC3=NC=NC=N3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H12N4O6S2/c20-26(21,22)13-7-2-1-4-10(13)11-5-3-6-12(14(11)27(23,24)25)19-15-17-8-16-9-18-15/h1-9H,(H,20,21,22)(H,23,24,25)(H,16,17,18,19)