3-[1-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propoxy]propoxy]-4-bromanyl-benzoic acid

Systemtic Name: 3-[1-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propoxy]propoxy]-4-bromanyl-benzoic acid Openeye Name: 3-[1-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]propoxy]-4-bromo-benzoic acid CAS Name: 3-[1-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]propoxy]-4-bromobenzoic acid IUPAC Name: 3-[1-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]propoxy]-4-bromobenzoic acid Traditional Name: 3-[1-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]propoxy]-4-bromo-benzoic acid Formula: C26H31BrO8 MolecularWeight: 551.42354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCOC(CC)OC2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCOC(CC)OC2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C26H31BrO8/c1-5-8-20-22(12-10-19(16(3)28)25(20)34-17(4)29)32-13-7-14-33-24(6-2)35-23-15-18(26(30)31)9-11-21(23)27/h9-12,15,24H,5-8,13-14H2,1-4H3,(H,30,31)