5-butyl-6-oxidanyl-undecane-3,4,5-tricarboxylic acid

Systemtic Name: 5-butyl-6-oxidanyl-undecane-3,4,5-tricarboxylic acid Openeye Name: 5-butyl-6-hydroxy-undecane-3,4,5-tricarboxylic acid CAS Name: 5-butyl-6-hydroxyundecane-3,4,5-tricarboxylic acid IUPAC Name: 5-butyl-6-hydroxyundecane-3,4,5-tricarboxylic acid Traditional Name: 5-butyl-6-hydroxy-undecane-3,4,5-tricarboxylic acid Formula: C18H32O7 MolecularWeight: 360.44248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32O7/c1-4-7-9-12-18(25,16(23)24)17(15(21)22,11-8-5-2)13(10-6-3)14(19)20/h13,25H,4-12H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)