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

Systemtic Name: 5-[3-(4-tert-butyl-2-chloranyl-phenoxy)propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: 5-[3-(4-tert-butyl-2-chloro-phenoxy)propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid CAS Name: 5-[3-(4-tert-butyl-2-chlorophenoxy)propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid IUPAC Name: 5-[3-(4-tert-butyl-2-chlorophenoxy)propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: 5-[3-(4-tert-butyl-2-chloro-phenoxy)propoxy]-2-ethyl-coumaran-2-carboxylic acid Formula: C24H29ClO5 MolecularWeight: 432.93706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClO5/c1-5-24(22(26)27)15-16-13-18(8-10-20(16)30-24)28-11-6-12-29-21-9-7-17(14-19(21)25)23(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,27)