3-butyl-7,9-bis(oxidanyl)-5H-benzo[b][1]benzothiepin-6-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC(=CC(=C3C(=O)C2)O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=CC(=CC(=C3C(=O)C2)O)O

InChI

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