5-[2,3,4,5,6-pentakis(5-oxidanyl-5-oxidanylidene-pentyl)cyclohexyl]pentanoic acid

Systemtic Name: 5-[2,3,4,5,6-pentakis(5-oxidanyl-5-oxidanylidene-pentyl)cyclohexyl]pentanoic acid Openeye Name: 5-[2,3,4,5,6-pentakis(5-hydroxy-5-oxo-pentyl)cyclohexyl]pentanoic acid CAS Name: 5-[2,3,4,5,6-pentakis(5-hydroxy-5-oxopentyl)cyclohexyl]pentanoic acid IUPAC Name: 5-[2,3,4,5,6-pentakis(5-hydroxy-5-oxopentyl)cyclohexyl]pentanoic acid Traditional Name: 5-[2,3,4,5,6-pentakis(5-hydroxy-5-keto-pentyl)cyclohexyl]valeric acid Formula: C36H60O12 MolecularWeight: 684.8544

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC1C(C(C(C(C1CCCCC(=O)O)CCCCC(=O)O)CCCCC(=O)O)CCCCC(=O)O)CCCCC(=O)O

Isomeric SMILES

C(CCC(=O)O)CC1C(C(C(C(C1CCCCC(=O)O)CCCCC(=O)O)CCCCC(=O)O)CCCCC(=O)O)CCCCC(=O)O

InChI

InChI=1S/C36H60O12/c37-31(38)19-7-1-13-25-26(14-2-8-20-32(39)40)28(16-4-10-22-34(43)44)30(18-6-12-24-36(47)48)29(17-5-11-23-35(45)46)27(25)15-3-9-21-33(41)42/h25-30H,1-24H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)