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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)NC(=O)CC(=O)C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)NC(=O)CC(=O)C)Cl

InChI

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