5-(3-chloranylpropanoylamino)-2,4-dimethyl-benzenesulfonic acid

Systemtic Name: 5-(3-chloranylpropanoylamino)-2,4-dimethyl-benzenesulfonic acid Openeye Name: 5-(3-chloropropanoylamino)-2,4-dimethyl-benzenesulfonic acid CAS Name: 5-[(3-chloro-1-oxopropyl)amino]-2,4-dimethylbenzenesulfonic acid IUPAC Name: 5-(3-chloropropanoylamino)-2,4-dimethylbenzenesulfonic acid Traditional Name: 5-(3-chloropropanoylamino)-2,4-dimethyl-besylic acid Formula: C11H14ClNO4S MolecularWeight: 291.75116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CCCl)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CCCl)S(=O)(=O)O)C

InChI

InChI=1S/C11H14ClNO4S/c1-7-5-8(2)10(18(15,16)17)6-9(7)13-11(14)3-4-12/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16,17)