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Triasulfuron and diclofop-methyl

HCID 188745
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Basic information

CAS
113336-30-4
Standard SMILES
COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1.COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
InChIKey
NJIXZOCSGYECPV-UHFFFAOYSA-N
Molecular formula
C30H30Cl3N5O9S
Average molar mass
743 g/mol
Monoisotopic mass
741.082982

Names & identifiers

Preferred name
Triasulfuron and diclofop-methyl
IUPAC
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate

Names & synonyms

113336-30-4Triasulfuron and diclofop-methylDTXSID90921038N'-[2-(2-Chloroethoxy)benzene-1-sulfonyl]-N-(6-methoxy-4-methyl-1,3,5-triazin-2(1H)-ylidene)carbamimidic acid--methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (1/1)Propanoic acid, 2-(4-(2,4-dichlorophenoxy)phenoxy)-, methyl ester, mixt. with 2-(2-chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)benzenesulfonamide

Database identifiers

CAS
113336-30-4
PubChem CID
188745
DTXSID
DTXSID90921038

Properties

Computed structural properties

Topological polar surface area
186 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
13
Heavy atoms
48
Formal charge
0
Complexity
918

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