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

Systemtic Name: 3-chloranylpropyl 2,7-dimethyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-chloropropyl 3-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 3-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-chloropropyl ester Formula: C15H19ClO4S MolecularWeight: 330.82696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClO4S/c1-9-4-5-11-12(8-9)21-14(13(17)10(2)20-11)15(18)19-7-3-6-16/h4-5,8,10,13-14,17H,3,6-7H2,1-2H3