5-[2-[3-ethyl-4-(2-phenoxyethoxy)phenyl]propan-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-ethyl-4-(2-phenoxyethoxy)phenyl]propan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[1-[3-ethyl-4-(2-phenoxyethoxy)phenyl]-1-methyl-ethyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-[3-ethyl-4-(2-phenoxyethoxy)phenyl]propan-2-yl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-ethyl-4-(2-phenoxyethoxy)phenyl]propan-2-yl]-2-hydroxybenzoic acid Traditional Name: 5-[1-[3-ethyl-4-(2-phenoxyethoxy)phenyl]-1-methyl-ethyl]-2-hydroxy-benzoic acid Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(=O)O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(=O)O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H28O5/c1-4-18-16-19(26(2,3)20-10-12-23(27)22(17-20)25(28)29)11-13-24(18)31-15-14-30-21-8-6-5-7-9-21/h5-13,16-17,27H,4,14-15H2,1-3H3,(H,28,29)