1-iodanyl-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one

Systemtic Name: 1-iodanyl-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one Openeye Name: 1-iodo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one CAS Name: 1-iodo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one IUPAC Name: 1-iodo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one Traditional Name: 1-iodo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-6-one Formula: C13H9IO2S MolecularWeight: 356.17883

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C(C1I)SC3=CC=CC=C3C(=O)O2

Isomeric SMILES

C1C=CC2=C(C1I)SC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C13H9IO2S/c14-9-5-3-6-10-12(9)17-11-7-2-1-4-8(11)13(15)16-10/h1-4,6-7,9H,5H2