2-sulfooxyethyl 3-[(4-chloranyl-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfinate

Systemtic Name: 2-sulfooxyethyl 3-[(4-chloranyl-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfinate Openeye Name: 2-sulfooxyethyl 3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfinate CAS Name: 3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfinate Traditional Name: 3-[(4-chloro-6-methyl-s-triazin-2-yl)amino]benzenesulfinic acid 2-sulfoxyethyl ester Formula: C12H13ClN4O6S2 MolecularWeight: 408.83782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)Cl)NC2=CC(=CC=C2)S(=O)OCCOS(=O)(=O)O

Isomeric SMILES

CC1=NC(=NC(=N1)Cl)NC2=CC(=CC=C2)S(=O)OCCOS(=O)(=O)O

InChI

InChI=1S/C12H13ClN4O6S2/c1-8-14-11(13)17-12(15-8)16-9-3-2-4-10(7-9)24(18)22-5-6-23-25(19,20)21/h2-4,7H,5-6H2,1H3,(H,19,20,21)(H,14,15,16,17)