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

Systemtic Name: 1-[2,4-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzothiepin-1-yl]propan-1-one Openeye Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)propan-1-one CAS Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)-1-propanone IUPAC Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)propan-1-one Traditional Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)propan-1-one Formula: C17H16O3S MolecularWeight: 300.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C2C(=C(C=C1O)O)CCC3=CC=CC=C3S2

Isomeric SMILES

CCC(=O)C1=C2C(=C(C=C1O)O)CCC3=CC=CC=C3S2

InChI

InChI=1S/C17H16O3S/c1-2-12(18)16-14(20)9-13(19)11-8-7-10-5-3-4-6-15(10)21-17(11)16/h3-6,9,19-20H,2,7-8H2,1H3