5-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propoxy]-5-bromanyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propoxy]-5-bromanyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]-5-bromo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]-5-bromo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]-5-bromocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]-5-bromo-cyclohexa-1,3-diene-1-carboxylic acid Formula: C23H27BrO7 MolecularWeight: 495.36028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrO7/c1-4-7-19-20(10-9-18(15(2)25)21(19)31-16(3)26)29-12-6-13-30-23(24)11-5-8-17(14-23)22(27)28/h5,8-11H,4,6-7,12-14H2,1-3H3,(H,27,28)