5-butyl-9-ethyl-6-oxidanyl-tridecane-4,5,6-tricarboxylate

Systemtic Name: 5-butyl-9-ethyl-6-oxidanyl-tridecane-4,5,6-tricarboxylate Openeye Name: 5-butyl-9-ethyl-6-hydroxy-tridecane-4,5,6-tricarboxylate CAS Name: 5-butyl-9-ethyl-6-hydroxytridecane-4,5,6-tricarboxylate IUPAC Name: 5-butyl-9-ethyl-6-hydroxytridecane-4,5,6-tricarboxylate Traditional Name: 5-butyl-9-ethyl-6-hydroxy-tridecane-4,5,6-tricarboxylate Formula: C22H37O7-3 MolecularWeight: 413.52498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=O)[O-])C(C(=O)[O-])(C(CCCC)(CCCC)C(=O)[O-])O

Isomeric SMILES

CCCCC(CC)CC(C(=O)[O-])C(C(=O)[O-])(C(CCCC)(CCCC)C(=O)[O-])O

InChI

InChI=1S/C22H40O7/c1-5-9-12-16(8-4)15-17(18(23)24)22(29,20(27)28)21(19(25)26,13-10-6-2)14-11-7-3/h16-17,29H,5-15H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)/p-3