6-iodanyl-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate

Systemtic Name: 6-iodanyl-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate Openeye Name: 6-iodo-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate CAS Name: 6-iodo-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-carboxylate IUPAC Name: 6-iodo-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepine-8-carboxylate Traditional Name: 6-iodo-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-8-carboxylate Formula: C14H10IO3S- MolecularWeight: 385.19687

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1)OC(=C3C=C(C=CC3S2)C(=O)[O-])I

Isomeric SMILES

C1CC2=C(C=C1)OC(=C3C=C(C=CC3S2)C(=O)[O-])I

InChI

InChI=1S/C14H11IO3S/c15-13-9-7-8(14(16)17)5-6-11(9)19-12-4-2-1-3-10(12)18-13/h1,3,5-7,11H,2,4H2,(H,16,17)/p-1