4-[(E)-3-[4-but-3-enoxy-2-(carboxymethyloxy)phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[4-but-3-enoxy-2-(carboxymethyloxy)phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[4-but-3-enoxy-2-(carboxymethyloxy)phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[4-but-3-enoxy-2-(carboxymethyloxy)phenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[4-but-3-enoxy-2-(carboxymethyloxy)phenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[4-but-3-enoxy-2-(carboxymethyloxy)phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)OCC(=O)O

Isomeric SMILES

C=CCCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)OCC(=O)O

InChI

InChI=1S/C22H20O7/c1-2-3-12-28-17-9-10-18(20(13-17)29-14-21(24)25)19(23)11-6-15-4-7-16(8-5-15)22(26)27/h2,4-11,13H,1,3,12,14H2,(H,24,25)(H,26,27)/b11-6+