7,9-bis(oxidanyl)-3-(4-oxidanylbut-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one

Systemtic Name: 7,9-bis(oxidanyl)-3-(4-oxidanylbut-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one Openeye Name: 7,9-dihydroxy-3-(4-hydroxybut-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one CAS Name: 7,9-dihydroxy-3-(4-hydroxybut-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one IUPAC Name: 7,9-dihydroxy-3-(4-hydroxybut-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one Traditional Name: 7,9-dihydroxy-3-(4-hydroxybut-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one Formula: C18H14O5 MolecularWeight: 310.30076

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#CCCO)OC3=CC(=CC(=C3C1=O)O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)C#CCCO)OC3=CC(=CC(=C3C1=O)O)O

InChI

InChI=1S/C18H14O5/c19-6-2-1-3-11-4-5-16-12(7-11)8-14(21)18-15(22)9-13(20)10-17(18)23-16/h4-5,7,9-10,19-20,22H,2,6,8H2