2-[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]phenyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulfonylethyl ester IUPAC Name: 2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-[(4,6-dichloro-s-triazin-2-yl)amino]phenyl]sulfonylethyl ester Formula: C11H10Cl2N4O6S2 MolecularWeight: 429.2563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C11H10Cl2N4O6S2/c12-9-15-10(13)17-11(16-9)14-7-1-3-8(4-2-7)24(18,19)6-5-23-25(20,21)22/h1-4H,5-6H2,(H,20,21,22)(H,14,15,16,17)