4-(3-chloranylpropyl)-7-methoxy-1,5-benzoxathiepin-3-one

Systemtic Name: 4-(3-chloranylpropyl)-7-methoxy-1,5-benzoxathiepin-3-one Openeye Name: 4-(3-chloropropyl)-7-methoxy-1,5-benzoxathiepin-3-one CAS Name: 4-(3-chloropropyl)-7-methoxy-1,5-benzoxathiepin-3-one IUPAC Name: 4-(3-chloropropyl)-7-methoxy-1,5-benzoxathiepin-3-one Traditional Name: 4-(3-chloropropyl)-7-methoxy-1,5-benzoxathiepin-3-one Formula: C13H15ClO3S MolecularWeight: 286.7744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=O)C(S2)CCCCl

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=O)C(S2)CCCCl

InChI

InChI=1S/C13H15ClO3S/c1-16-9-4-5-11-13(7-9)18-12(3-2-6-14)10(15)8-17-11/h4-5,7,12H,2-3,6,8H2,1H3