4-(3-chloranylpropyl)-8-methoxy-3-oxidanyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid

Systemtic Name: 4-(3-chloranylpropyl)-8-methoxy-3-oxidanyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Openeye Name: 4-(3-chloropropyl)-3-hydroxy-8-methoxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid CAS Name: 4-(3-chloropropyl)-3-hydroxy-8-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid IUPAC Name: 4-(3-chloropropyl)-3-hydroxy-8-methoxy-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Traditional Name: 4-(3-chloropropyl)-3-hydroxy-8-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid Formula: C14H17ClO5S MolecularWeight: 332.79978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClO5S/c1-19-9-3-4-11-10(7-9)20-8-12(16)14(21-11,13(17)18)5-2-6-15/h3-4,7,12,16H,2,5-6,8H2,1H3,(H,17,18)