4-[5-(2,6-dimethylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[5-(2,6-dimethylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-3,5-dimethyl-benzoic acid Openeye Name: 4-[1-carboxy-4-(2,6-dimethylphenoxy)butoxy]-3,5-dimethyl-benzoic acid CAS Name: 4-[5-(2,6-dimethylphenoxy)-1-hydroxy-1-oxopentan-2-yl]oxy-3,5-dimethylbenzoic acid IUPAC Name: 4-[5-(2,6-dimethylphenoxy)-1-hydroxy-1-oxopentan-2-yl]oxy-3,5-dimethylbenzoic acid Traditional Name: 4-[1-carboxy-4-(2,6-dimethylphenoxy)butoxy]-3,5-dimethyl-benzoic acid Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCC(C(=O)O)OC2=C(C=C(C=C2C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCC(C(=O)O)OC2=C(C=C(C=C2C)C(=O)O)C

InChI

InChI=1S/C22H26O6/c1-13-7-5-8-14(2)19(13)27-10-6-9-18(22(25)26)28-20-15(3)11-17(21(23)24)12-16(20)4/h5,7-8,11-12,18H,6,9-10H2,1-4H3,(H,23,24)(H,25,26)