2-[1-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propoxy]-5-bromanyl-benzoic acid

Systemtic Name: 2-[1-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propoxy]-5-bromanyl-benzoic acid Openeye Name: 2-[1-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]-5-bromo-benzoic acid CAS Name: 2-[1-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]-5-bromobenzoic acid IUPAC Name: 2-[1-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]-5-bromobenzoic acid Traditional Name: 2-[1-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]-5-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)OC(CC)OC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrO7/c1-5-7-17-19(11-9-16(13(3)25)22(17)29-14(4)26)30-21(6-2)31-20-10-8-15(24)12-18(20)23(27)28/h8-12,21H,5-7H2,1-4H3,(H,27,28)