4-(3-chloranylpropyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol

Systemtic Name: 4-(3-chloranylpropyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Openeye Name: 4-(3-chloropropyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol CAS Name: 4-(3-chloropropyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol IUPAC Name: 4-(3-chloropropyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Traditional Name: 4-(3-chloropropyl)-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Formula: C13H17ClO3S MolecularWeight: 288.79028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO3S/c1-16-9-4-5-11-13(7-9)18-12(3-2-6-14)10(15)8-17-11/h4-5,7,10,12,15H,2-3,6,8H2,1H3