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4,5,6-tricarboxyoxy-3-ethyl-2-(5-phenylpentyl)octanoic acid

4,5,6-tricarboxyoxy-3-ethyl-2-(5-phenylpentyl)octanoic acid

Systemtic Name:4,5,6-tricarboxyoxy-3-ethyl-2-(5-phenylpentyl)octanoic acid
Openeye Name:4,5,6-tricarboxyoxy-3-ethyl-2-(5-phenylpentyl)octanoic acid
CAS Name:4,5,6-tricarboxyoxy-3-ethyl-2-(5-phenylpentyl)octanoic acid
IUPAC Name:4,5,6-tricarboxyoxy-3-ethyl-2-(5-phenylpentyl)octanoic acid
Traditional Name:4,5,6-tricarboxyoxy-3-ethyl-2-(5-phenylpentyl)caprylic acid
Formula: C24H34O11
MolecularWeight: 498.52016
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCCCC1=CC=CC=C1)C(=O)O)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O


Isomeric SMILES

CCC(C(CCCCCC1=CC=CC=C1)C(=O)O)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O


InChI

InChI=1S/C24H34O11/c1-3-16(17(21(25)26)14-10-6-9-13-15-11-7-5-8-12-15)19(34-23(29)30)20(35-24(31)32)18(4-2)33-22(27)28/h5,7-8,11-12,16-20H,3-4,6,9-10,13-14H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32)


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