4-[[4,6-bis(4-sulfophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonic acid

Systemtic Name: 4-[[4,6-bis(4-sulfophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonic acid Openeye Name: 4-[[4,6-bis(4-sulfophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonic acid CAS Name: 4-[[4,6-bis(4-sulfophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonic acid IUPAC Name: 4-[[4,6-bis(4-sulfophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonic acid Traditional Name: 4-[[4,6-bis(4-sulfophenoxy)-s-triazin-2-yl]oxy]besylic acid Formula: C21H15N3O12S3 MolecularWeight: 597.5517

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=NC(=NC(=N2)OC3=CC=C(C=C3)S(=O)(=O)O)OC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1OC2=NC(=NC(=N2)OC3=CC=C(C=C3)S(=O)(=O)O)OC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H15N3O12S3/c25-37(26,27)16-7-1-13(2-8-16)34-19-22-20(35-14-3-9-17(10-4-14)38(28,29)30)24-21(23-19)36-15-5-11-18(12-6-15)39(31,32)33/h1-12H,(H,25,26,27)(H,28,29,30)(H,31,32,33)