2-methyl-3-(4-octoxypentoxy)-4-phenyl-benzoic acid

Systemtic Name: 2-methyl-3-(4-octoxypentoxy)-4-phenyl-benzoic acid Openeye Name: 2-methyl-3-(4-octoxypentoxy)-4-phenyl-benzoic acid CAS Name: 2-methyl-3-(4-octoxypentoxy)-4-phenylbenzoic acid IUPAC Name: 2-methyl-3-(4-octoxypentoxy)-4-phenylbenzoic acid Traditional Name: 2-methyl-3-(4-octoxypentoxy)-4-phenyl-benzoic acid Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)CCCOC1=C(C=CC(=C1C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC(C)CCCOC1=C(C=CC(=C1C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C27H38O4/c1-4-5-6-7-8-12-19-30-21(2)14-13-20-31-26-22(3)24(27(28)29)17-18-25(26)23-15-10-9-11-16-23/h9-11,15-18,21H,4-8,12-14,19-20H2,1-3H3,(H,28,29)