methyl 4-(3-chloranylpropyl)-8-methoxy-3-oxidanyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: methyl 4-(3-chloranylpropyl)-8-methoxy-3-oxidanyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 4-(3-chloropropyl)-3-hydroxy-8-methoxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: 4-(3-chloropropyl)-3-hydroxy-8-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-chloropropyl)-3-hydroxy-8-methoxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: 4-(3-chloropropyl)-3-hydroxy-8-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C15H19ClO5S MolecularWeight: 346.82636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(C(CO2)O)(CCCCl)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(C(CO2)O)(CCCCl)C(=O)OC

InChI

InChI=1S/C15H19ClO5S/c1-19-10-4-5-12-11(8-10)21-9-13(17)15(22-12,6-3-7-16)14(18)20-2/h4-5,8,13,17H,3,6-7,9H2,1-2H3