4-[7-(4-carboxyphenoxy)-7-oxidanylidene-heptanoyl]oxybenzoic acid

Systemtic Name: 4-[7-(4-carboxyphenoxy)-7-oxidanylidene-heptanoyl]oxybenzoic acid Openeye Name: 4-[7-(4-carboxyphenoxy)-7-oxo-heptanoyl]oxybenzoic acid CAS Name: 4-[7-(4-carboxyphenoxy)-1,7-dioxoheptoxy]benzoic acid IUPAC Name: 4-[7-(4-carboxyphenoxy)-7-oxoheptanoyl]oxybenzoic acid Traditional Name: 4-[7-(4-carboxyphenoxy)-7-keto-heptanoyl]oxybenzoic acid Formula: C21H20O8 MolecularWeight: 400.3787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC(=O)CCCCCC(=O)OC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC(=O)CCCCCC(=O)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H20O8/c22-18(28-16-10-6-14(7-11-16)20(24)25)4-2-1-3-5-19(23)29-17-12-8-15(9-13-17)21(26)27/h6-13H,1-5H2,(H,24,25)(H,26,27)