2,7-bis[(1-oxidanylcyclohexyl)carbonyl]xanthen-9-one

Systemtic Name: 2,7-bis[(1-oxidanylcyclohexyl)carbonyl]xanthen-9-one Openeye Name: 2,7-bis(1-hydroxycyclohexanecarbonyl)xanthen-9-one CAS Name: 2,7-bis[(1-hydroxycyclohexyl)-oxomethyl]-9-xanthenone IUPAC Name: 2,7-bis(1-hydroxycyclohexanecarbonyl)xanthen-9-one Traditional Name: 2,7-bis(1-hydroxycyclohexanecarbonyl)xanthone Formula: C27H28O6 MolecularWeight: 448.50762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)C5(CCCCC5)O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)C5(CCCCC5)O)O

InChI

InChI=1S/C27H28O6/c28-23-19-15-17(24(29)26(31)11-3-1-4-12-26)7-9-21(19)33-22-10-8-18(16-20(22)23)25(30)27(32)13-5-2-6-14-27/h7-10,15-16,31-32H,1-6,11-14H2