5-[3-[2-chloranyl-4-(2,2-dimethylpropyl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[2-chloranyl-4-(2,2-dimethylpropyl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: 5-[3-[2-chloro-4-(2,2-dimethylpropyl)phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid CAS Name: 5-[3-[2-chloro-4-(2,2-dimethylpropyl)phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid IUPAC Name: 5-[3-[2-chloro-4-(2,2-dimethylpropyl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: 5-[3-(2-chloro-4-neopentyl-phenoxy)propoxy]-2-ethyl-coumaran-2-carboxylic acid Formula: C25H31ClO5 MolecularWeight: 446.96364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(O1)C=CC(=C2)OCCCOC3=C(C=C(C=C3)CC(C)(C)C)Cl)C(=O)O

Isomeric SMILES

CCC1(CC2=C(O1)C=CC(=C2)OCCCOC3=C(C=C(C=C3)CC(C)(C)C)Cl)C(=O)O

InChI

InChI=1S/C25H31ClO5/c1-5-25(23(27)28)16-18-14-19(8-10-21(18)31-25)29-11-6-12-30-22-9-7-17(13-20(22)26)15-24(2,3)4/h7-10,13-14H,5-6,11-12,15-16H2,1-4H3,(H,27,28)