1-[7,9-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[7,9-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]-2-methyl-propan-1-one Openeye Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)-2-methyl-propan-1-one CAS Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)-2-methyl-1-propanone IUPAC Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)-2-methylpropan-1-one Traditional Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)-2-methyl-propan-1-one Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3S/c1-10(2)18(21)12-4-6-16-11(7-12)3-5-14-15(20)8-13(19)9-17(14)22-16/h4,6-10,19-20H,3,5H2,1-2H3