(2S)-7-[3-(2-chloranyl-4-phenoxy-phenoxy)propoxy]-2-methyl-3,4-dihydrochromene-2-carboxylic acid

Systemtic Name: (2S)-7-[3-(2-chloranyl-4-phenoxy-phenoxy)propoxy]-2-methyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: (2S)-7-[3-(2-chloro-4-phenoxy-phenoxy)propoxy]-2-methyl-chromane-2-carboxylic acid CAS Name: (2S)-7-[3-(2-chloro-4-phenoxyphenoxy)propoxy]-2-methyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: (2S)-7-[3-(2-chloro-4-phenoxyphenoxy)propoxy]-2-methyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: (2S)-7-[3-(2-chloro-4-phenoxy-phenoxy)propoxy]-2-methyl-chroman-2-carboxylic acid Formula: C26H25ClO6 MolecularWeight: 468.9261

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)OC4=CC=CC=C4)Cl)C(=O)O

Isomeric SMILES

C[C@]1(CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)OC4=CC=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1