1-[7,9-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one

Systemtic Name: 1-[7,9-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one Openeye Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propan-1-one CAS Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)-1-propanone IUPAC Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propan-1-one Traditional Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propan-1-one Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)SC3=CC(=CC(=C3CC2)O)O

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)SC3=CC(=CC(=C3CC2)O)O

InChI

InChI=1S/C17H16O3S/c1-2-14(19)10-4-6-16-11(7-10)3-5-13-15(20)8-12(18)9-17(13)21-16/h4,6-9,18,20H,2-3,5H2,1H3