4-[1-(3,4-dichlorophenyl)-2-oxidanyl-2-oxidanylidene-ethoxy]-3,5-dipropyl-benzoic acid

Systemtic Name: 4-[1-(3,4-dichlorophenyl)-2-oxidanyl-2-oxidanylidene-ethoxy]-3,5-dipropyl-benzoic acid Openeye Name: 4-[1-(3,4-dichlorophenyl)-2-hydroxy-2-oxo-ethoxy]-3,5-dipropyl-benzoic acid CAS Name: 4-[1-(3,4-dichlorophenyl)-2-hydroxy-2-oxoethoxy]-3,5-dipropylbenzoic acid IUPAC Name: 4-[1-(3,4-dichlorophenyl)-2-hydroxy-2-oxoethoxy]-3,5-dipropylbenzoic acid Traditional Name: 4-[1-(3,4-dichlorophenyl)-2-hydroxy-2-keto-ethoxy]-3,5-dipropyl-benzoic acid Formula: C21H22Cl2O5 MolecularWeight: 425.30238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC(=C(C=C2)Cl)Cl)C(=O)O)CCC)C(=O)O

Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC(=C(C=C2)Cl)Cl)C(=O)O)CCC)C(=O)O

InChI

InChI=1S/C21H22Cl2O5/c1-3-5-12-9-15(20(24)25)10-13(6-4-2)18(12)28-19(21(26)27)14-7-8-16(22)17(23)11-14/h7-11,19H,3-6H2,1-2H3,(H,24,25)(H,26,27)