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4-chloranyl-5-methyl-2-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

4-chloranyl-5-methyl-2-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name:4-chloranyl-5-methyl-2-(3-oxidanylidenebutanoylamino)benzenesulfonic acid
Openeye Name:4-chloro-5-methyl-2-(3-oxobutanoylamino)benzenesulfonic acid
CAS Name:4-chloro-2-(1,3-dioxobutylamino)-5-methylbenzenesulfonic acid
IUPAC Name:4-chloro-5-methyl-2-(3-oxobutanoylamino)benzenesulfonic acid
Traditional Name:2-(acetoacetylamino)-4-chloro-5-methyl-besylic acid
Formula: C11H12ClNO5S
MolecularWeight: 305.73468
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=O)CC(=O)C)S(=O)(=O)O


Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=O)CC(=O)C)S(=O)(=O)O


InChI

InChI=1S/C11H12ClNO5S/c1-6-3-10(19(16,17)18)9(5-8(6)12)13-11(15)4-7(2)14/h3,5H,4H2,1-2H3,(H,13,15)(H,16,17,18)


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