7-[3-(4-tert-butyl-2-chloranyl-phenoxy)propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid

Systemtic Name: 7-[3-(4-tert-butyl-2-chloranyl-phenoxy)propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: 7-[3-(4-tert-butyl-2-chloro-phenoxy)propoxy]-2-ethyl-chromane-2-carboxylic acid CAS Name: 7-[3-(4-tert-butyl-2-chlorophenoxy)propoxy]-2-ethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-tert-butyl-2-chlorophenoxy)propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: 7-[3-(4-tert-butyl-2-chloro-phenoxy)propoxy]-2-ethyl-chroman-2-carboxylic acid Formula: C25H31ClO5 MolecularWeight: 446.96364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)C(C)(C)C)Cl)C(=O)O

Isomeric SMILES

CCC1(CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)C(C)(C)C)Cl)C(=O)O

InChI

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