4-chloranyl-2-(furan-3-ylmethylideneamino)-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-3-ylmethylideneamino)-5-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-(3-furylmethyleneamino)-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2-(3-furanylmethylideneamino)-5-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-(furan-3-ylmethylideneamino)-5-methylsulfonylbenzoic acid Traditional Name: 4-chloro-2-(3-furfurylideneamino)-5-mesyl-benzoic acid Formula: C13H10ClNO5S MolecularWeight: 327.7402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)N=CC2=COC=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)N=CC2=COC=C2)Cl

InChI

InChI=1S/C13H10ClNO5S/c1-21(18,19)12-4-9(13(16)17)11(5-10(12)14)15-6-8-2-3-20-7-8/h2-7H,1H3,(H,16,17)