3,8-bis(2-ethyl-2-oxidanyl-butanoyl)benzo[b][1]benzoxepine-5,6-dione

Systemtic Name: 3,8-bis(2-ethyl-2-oxidanyl-butanoyl)benzo[b][1]benzoxepine-5,6-dione Openeye Name: 3,8-bis(2-ethyl-2-hydroxy-butanoyl)benzo[b][1]benzoxepine-5,6-dione CAS Name: 3,8-bis(2-ethyl-2-hydroxy-1-oxobutyl)benzo[b][1]benzoxepin-5,6-dione IUPAC Name: 3,8-bis(2-ethyl-2-hydroxybutanoyl)benzo[b][1]benzoxepine-5,6-dione Traditional Name: 3,8-bis(2-ethyl-2-hydroxy-butanoyl)benzo[b][1]benzoxepin-5,6-quinone Formula: C26H28O7 MolecularWeight: 452.49632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(=O)C(CC)(CC)O)C(=O)C2=O)O

Isomeric SMILES

CCC(CC)(C(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(=O)C(CC)(CC)O)C(=O)C2=O)O

InChI

InChI=1S/C26H28O7/c1-5-25(31,6-2)23(29)15-9-11-19-17(13-15)21(27)22(28)18-14-16(10-12-20(18)33-19)24(30)26(32,7-3)8-4/h9-14,31-32H,5-8H2,1-4H3