4-[[4,6-bis(4-sulfonatophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonate

Systemtic Name: 4-[[4,6-bis(4-sulfonatophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonate Openeye Name: 4-[[4,6-bis(4-sulfonatophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonate CAS Name: 4-[[4,6-bis(4-sulfonatophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonate IUPAC Name: 4-[[4,6-bis(4-sulfonatophenoxy)-1,3,5-triazin-2-yl]oxy]benzenesulfonate Traditional Name: 4-[[4,6-bis(4-sulfonatophenoxy)-s-triazin-2-yl]oxy]besylate Formula: C21H12N3O12S3-3 MolecularWeight: 594.52788

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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)/p-3