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

Systemtic Name: 4-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propoxy]-3-bromanyl-benzoic acid Openeye Name: 4-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]-3-bromo-benzoic acid CAS Name: 4-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]-3-bromobenzoic acid IUPAC Name: 4-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]-3-bromobenzoic acid Traditional Name: 4-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]-3-bromo-benzoic acid Formula: C23H25BrO7 MolecularWeight: 493.3444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C23H25BrO7/c1-4-6-18-20(10-8-17(14(2)25)22(18)31-15(3)26)29-11-5-12-30-21-9-7-16(23(27)28)13-19(21)24/h7-10,13H,4-6,11-12H2,1-3H3,(H,27,28)