3-chloranylbenzoic acid; N,N-diethylmethanesulfonamide

Systemtic Name: 3-chloranylbenzoic acid; N,N-diethylmethanesulfonamide Openeye Name: 3-chlorobenzoic acid; N,N-diethylmethanesulfonamide CAS Name: 3-chlorobenzoic acid; N,N-diethylmethanesulfonamide IUPAC Name: 3-chlorobenzoic acid; N,N-diethylmethanesulfonamide Traditional Name: 3-chlorobenzoic acid; N,N-diethylmethanesulfonamide Formula: C12H18ClNO4S MolecularWeight: 307.79362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C.C1=CC(=CC(=C1)Cl)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C.C1=CC(=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C7H5ClO2.C5H13NO2S/c8-6-3-1-2-5(4-6)7(9)10;1-4-6(5-2)9(3,7)8/h1-4H,(H,9,10);4-5H2,1-3H3