3-[2-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentoxy)-6-(6-oxidanylhexyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentoxy)-6-(6-oxidanylhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(6-hydroxyhexyl)-6-(5-methoxy-4,4-dimethyl-5-oxo-pentoxy)phenyl]propanoic acid CAS Name: 3-[2-(6-hydroxyhexyl)-6-(5-methoxy-4,4-dimethyl-5-oxopentoxy)phenyl]propanoic acid IUPAC Name: 3-[2-(6-hydroxyhexyl)-6-(5-methoxy-4,4-dimethyl-5-oxopentoxy)phenyl]propanoic acid Traditional Name: 3-[2-(6-hydroxyhexyl)-6-(5-keto-5-methoxy-4,4-dimethyl-pentoxy)phenyl]propionic acid Formula: C23H36O6 MolecularWeight: 408.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO)C(=O)OC

Isomeric SMILES

CC(C)(CCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO)C(=O)OC

InChI

InChI=1S/C23H36O6/c1-23(2,22(27)28-3)15-9-17-29-20-12-8-11-18(10-6-4-5-7-16-24)19(20)13-14-21(25)26/h8,11-12,24H,4-7,9-10,13-17H2,1-3H3,(H,25,26)