7-chloranyl-4-(3-chloranylpropyl)-3-oxidanyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 7-chloranyl-4-(3-chloranylpropyl)-3-oxidanyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: 7-chloro-4-(3-chloropropyl)-3-hydroxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: 7-chloro-4-(3-chloropropyl)-3-hydroxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylate IUPAC Name: 7-chloro-4-(3-chloropropyl)-3-hydroxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: 7-chloro-4-(3-chloropropyl)-3-hydroxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylate Formula: C13H13Cl2O4S- MolecularWeight: 336.21092

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC2=C(O1)C=CC(=C2)Cl)(CCCCl)C(=O)[O-])O

Isomeric SMILES

C1C(C(SC2=C(O1)C=CC(=C2)Cl)(CCCCl)C(=O)[O-])O

InChI

InChI=1S/C13H14Cl2O4S/c14-5-1-4-13(12(17)18)11(16)7-19-9-3-2-8(15)6-10(9)20-13/h2-3,6,11,16H,1,4-5,7H2,(H,17,18)/p-1