3-butyl-2-(2-oxidanylidenecyclopentyl)-2-(3-oxidanyloctyl)butanedioic acid

Systemtic Name: 3-butyl-2-(2-oxidanylidenecyclopentyl)-2-(3-oxidanyloctyl)butanedioic acid Openeye Name: 3-butyl-2-(3-hydroxyoctyl)-2-(2-oxocyclopentyl)butanedioic acid CAS Name: 3-butyl-2-(3-hydroxyoctyl)-2-(2-oxocyclopentyl)butanedioic acid IUPAC Name: 3-butyl-2-(3-hydroxyoctyl)-2-(2-oxocyclopentyl)butanedioic acid Traditional Name: 3-butyl-2-(3-hydroxyoctyl)-2-(2-ketocyclopentyl)succinic acid Formula: C21H36O6 MolecularWeight: 384.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(C1CCCC1=O)(C(CCCC)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCC(CCC(C1CCCC1=O)(C(CCCC)C(=O)O)C(=O)O)O

InChI

InChI=1S/C21H36O6/c1-3-5-7-9-15(22)13-14-21(20(26)27,16-11-8-12-18(16)23)17(19(24)25)10-6-4-2/h15-17,22H,3-14H2,1-2H3,(H,24,25)(H,26,27)