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

Systemtic Name: 1-[2,4-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one Openeye Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propan-1-one CAS Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)-1-propanone IUPAC Name: 1-(2,4-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propan-1-one Traditional Name: 1-(2,4-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=C(C2=C(C=C1O)SC3=CC=CC=C3CC2)O

Isomeric SMILES

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

InChI

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