3-[2-(1,3-benzodioxol-5-yl)-3-carboxy-4-oxidanylidene-4-phenethyloxy-butyl]-2-methyl-benzoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-3-carboxy-4-oxidanylidene-4-phenethyloxy-butyl]-2-methyl-benzoic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-3-carboxy-4-oxo-4-phenethyloxy-butyl]-2-methyl-benzoic acid CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-3-carboxy-4-oxo-4-phenethyloxybutyl]-2-methylbenzoic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-3-carboxy-4-oxo-4-phenethyloxybutyl]-2-methylbenzoic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-3-carboxy-4-keto-4-phenethyloxy-butyl]-2-methyl-benzoic acid Formula: C28H26O8 MolecularWeight: 490.50124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CC(C2=CC3=C(C=C2)OCO3)C(C(=O)O)C(=O)OCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1CC(C2=CC3=C(C=C2)OCO3)C(C(=O)O)C(=O)OCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26O8/c1-17-19(8-5-9-21(17)26(29)30)14-22(20-10-11-23-24(15-20)36-16-35-23)25(27(31)32)28(33)34-13-12-18-6-3-2-4-7-18/h2-11,15,22,25H,12-14,16H2,1H3,(H,29,30)(H,31,32)