2-pentyl-2-(2-phenoxybutyl)heptanoic acid

Systemtic Name: 2-pentyl-2-(2-phenoxybutyl)heptanoic acid Openeye Name: 2-pentyl-2-(2-phenoxybutyl)heptanoic acid CAS Name: 2-pentyl-2-(2-phenoxybutyl)heptanoic acid IUPAC Name: 2-pentyl-2-(2-phenoxybutyl)heptanoic acid Traditional Name: 2-amyl-2-(2-phenoxybutyl)enanthic acid Formula: C22H36O3 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)(CC(CC)OC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCC(CCCCC)(CC(CC)OC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C22H36O3/c1-4-7-12-16-22(21(23)24,17-13-8-5-2)18-19(6-3)25-20-14-10-9-11-15-20/h9-11,14-15,19H,4-8,12-13,16-18H2,1-3H3,(H,23,24)