2-octoxy-3-pentan-2-yloxy-4-phenyl-benzoic acid

Systemtic Name: 2-octoxy-3-pentan-2-yloxy-4-phenyl-benzoic acid Openeye Name: 3-(1-methylbutoxy)-2-octoxy-4-phenyl-benzoic acid CAS Name: 2-octoxy-3-pentan-2-yloxy-4-phenylbenzoic acid IUPAC Name: 2-octoxy-3-pentan-2-yloxy-4-phenylbenzoic acid Traditional Name: 3-(1-methylbutoxy)-2-octoxy-4-phenyl-benzoic acid Formula: C26H36O4 MolecularWeight: 412.56164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1OC(C)CCC)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1OC(C)CCC)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H36O4/c1-4-6-7-8-9-13-19-29-24-23(26(27)28)18-17-22(21-15-11-10-12-16-21)25(24)30-20(3)14-5-2/h10-12,15-18,20H,4-9,13-14,19H2,1-3H3,(H,27,28)