4-[3-[4-(carboxycarbonyl)phenoxy]propoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[3-[4-(carboxycarbonyl)phenoxy]propoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 2-hydroxy-4-[3-(4-oxalophenoxy)propoxy]-3-propyl-benzoic acid CAS Name: 2-hydroxy-4-[3-(4-oxalophenoxy)propoxy]-3-propylbenzoic acid IUPAC Name: 2-hydroxy-4-[3-(4-oxalophenoxy)propoxy]-3-propylbenzoic acid Traditional Name: 2-hydroxy-4-[3-(4-oxalophenoxy)propoxy]-3-propyl-benzoic acid Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCOC2=CC=C(C=C2)C(=O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCOC2=CC=C(C=C2)C(=O)C(=O)O

InChI

InChI=1S/C21H22O8/c1-2-4-15-17(10-9-16(19(15)23)20(24)25)29-12-3-11-28-14-7-5-13(6-8-14)18(22)21(26)27/h5-10,23H,2-4,11-12H2,1H3,(H,24,25)(H,26,27)