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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3S/c1-2-3-15(20)11-5-7-17-12(8-11)4-6-14-16(21)9-13(19)10-18(14)22-17/h5,7-10,19,21H,2-4,6H2,1H3