1,6-bis[(1-oxidanylcyclohexyl)carbonyl]phenanthrene-3,4-dione

Systemtic Name: 1,6-bis[(1-oxidanylcyclohexyl)carbonyl]phenanthrene-3,4-dione Openeye Name: 1,6-bis(1-hydroxycyclohexanecarbonyl)phenanthrene-3,4-dione CAS Name: 1,6-bis[(1-hydroxycyclohexyl)-oxomethyl]phenanthrene-3,4-dione IUPAC Name: 1,6-bis(1-hydroxycyclohexanecarbonyl)phenanthrene-3,4-dione Traditional Name: 1,6-bis(1-hydroxycyclohexanecarbonyl)phenanthrene-3,4-quinone Formula: C28H28O6 MolecularWeight: 460.51832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)C2=CC3=C(C=C2)C=CC4=C3C(=O)C(=O)C=C4C(=O)C5(CCCCC5)O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)C2=CC3=C(C=C2)C=CC4=C3C(=O)C(=O)C=C4C(=O)C5(CCCCC5)O)O

InChI

InChI=1S/C28H28O6/c29-22-16-21(26(32)28(34)13-5-2-6-14-28)19-10-9-17-7-8-18(15-20(17)23(19)24(22)30)25(31)27(33)11-3-1-4-12-27/h7-10,15-16,33-34H,1-6,11-14H2