4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfinamoyloxy-benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfinamoyloxy-benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfinamoyloxy-benzoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfinamoyloxybenzoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfinamoyloxybenzoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfinamoyloxy-benzoic acid Formula: C12H11ClN2O5S MolecularWeight: 330.74414

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)OS(=O)N)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)OS(=O)N)Cl

InChI

InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-19-7)8(12(16)17)4-11(9)20-21(14)18/h1-5,15H,6,14H2,(H,16,17)