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

Systemtic Name: 7,9-bis(oxidanyl)-3-(3-oxidanylprop-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one Openeye Name: 7,9-dihydroxy-3-(3-hydroxyprop-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one CAS Name: 7,9-dihydroxy-3-(3-hydroxyprop-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one IUPAC Name: 7,9-dihydroxy-3-(3-hydroxyprop-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one Traditional Name: 7,9-dihydroxy-3-(3-hydroxyprop-1-ynyl)-5H-benzo[b][1]benzoxepin-6-one Formula: C17H12O5 MolecularWeight: 296.27418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12O5/c18-5-1-2-10-3-4-15-11(6-10)7-13(20)17-14(21)8-12(19)9-16(17)22-15/h3-4,6,8-9,18-19,21H,5,7H2