3-chloranylpropyl 7-chloranyl-2-methyl-3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 3-chloranylpropyl 7-chloranyl-2-methyl-3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-chloropropyl 7-chloro-2-methyl-3-oxo-1,5-benzoxathiepine-4-carboxylate CAS Name: 7-chloro-2-methyl-3-oxo-1,5-benzoxathiepin-4-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 7-chloro-2-methyl-3-oxo-1,5-benzoxathiepine-4-carboxylate Traditional Name: 7-chloro-3-keto-2-methyl-1,5-benzoxathiepin-4-carboxylic acid 3-chloropropyl ester Formula: C14H14Cl2O4S MolecularWeight: 349.22956

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(SC2=C(O1)C=CC(=C2)Cl)C(=O)OCCCCl

Isomeric SMILES

CC1C(=O)C(SC2=C(O1)C=CC(=C2)Cl)C(=O)OCCCCl

InChI

InChI=1S/C14H14Cl2O4S/c1-8-12(17)13(14(18)19-6-2-5-15)21-11-7-9(16)3-4-10(11)20-8/h3-4,7-8,13H,2,5-6H2,1H3