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

Systemtic Name: 4-[1-(3-bromophenyl)-2-oxidanyl-2-oxidanylidene-ethoxy]-3,5-dipropyl-benzoic acid Openeye Name: 4-[1-(3-bromophenyl)-2-hydroxy-2-oxo-ethoxy]-3,5-dipropyl-benzoic acid CAS Name: 4-[1-(3-bromophenyl)-2-hydroxy-2-oxoethoxy]-3,5-dipropylbenzoic acid IUPAC Name: 4-[1-(3-bromophenyl)-2-hydroxy-2-oxoethoxy]-3,5-dipropylbenzoic acid Traditional Name: 4-[1-(3-bromophenyl)-2-hydroxy-2-keto-ethoxy]-3,5-dipropyl-benzoic acid Formula: C21H23BrO5 MolecularWeight: 435.30832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrO5/c1-3-6-13-10-16(20(23)24)11-14(7-4-2)18(13)27-19(21(25)26)15-8-5-9-17(22)12-15/h5,8-12,19H,3-4,6-7H2,1-2H3,(H,23,24)(H,25,26)