1-[2,4-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone

Systemtic Name: 1-[2,4-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Openeye Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanone CAS Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanone IUPAC Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanone Traditional Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanone Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=C1O)SC3=CC=CC=C3CC2)O

Isomeric SMILES

CC(=O)C1=C(C2=C(C=C1O)SC3=CC=CC=C3CC2)O

InChI

InChI=1S/C16H14O3S/c1-9(17)15-12(18)8-14-11(16(15)19)7-6-10-4-2-3-5-13(10)20-14/h2-5,8,18-19H,6-7H2,1H3