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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC(=CC=C2)C(=O)O)OCCC(=O)O

Isomeric SMILES

C=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)C(=O)O)OCCC(=O)O

InChI

InChI=1S/C22H20O7/c1-2-11-28-17-7-8-18(20(14-17)29-12-10-21(24)25)19(23)9-6-15-4-3-5-16(13-15)22(26)27/h2-9,13-14H,1,10-12H2,(H,24,25)(H,26,27)/b9-6+