3-chloranylpropyl 3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 3-chloranylpropyl 3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-chloropropyl 3-oxo-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-oxo-1,5-benzoxathiepin-4-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 3-oxo-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-keto-1,5-benzoxathiepin-4-carboxylic acid 3-chloropropyl ester Formula: C13H13ClO4S MolecularWeight: 300.75792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(SC2=CC=CC=C2O1)C(=O)OCCCCl

Isomeric SMILES

C1C(=O)C(SC2=CC=CC=C2O1)C(=O)OCCCCl

InChI

InChI=1S/C13H13ClO4S/c14-6-3-7-17-13(16)12-9(15)8-18-10-4-1-2-5-11(10)19-12/h1-2,4-5,12H,3,6-8H2