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

Systemtic Name: 3-chloranylpropyl 7-chloranyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-chloropropyl 7-chloro-3-hydroxy-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 7-chloro-3-hydroxy-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 7-chloro-3-hydroxy-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 7-chloro-3-hydroxy-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-chloropropyl ester Formula: C13H14Cl2O4S MolecularWeight: 337.21886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC2=C(O1)C=CC(=C2)Cl)C(=O)OCCCCl)O

Isomeric SMILES

C1C(C(SC2=C(O1)C=CC(=C2)Cl)C(=O)OCCCCl)O

InChI

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