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

Systemtic Name: 4-[(E)-3-[2-(carboxymethyloxy)-4-prop-2-ynoxy-phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[2-(carboxymethyloxy)-4-prop-2-ynoxy-phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[2-(carboxymethyloxy)-4-prop-2-ynoxyphenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[2-(carboxymethyloxy)-4-prop-2-ynoxyphenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[2-(carboxymethyloxy)-4-propargyloxy-phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C21H16O7 MolecularWeight: 380.34754

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)OCC(=O)O

Isomeric SMILES

C#CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)OCC(=O)O

InChI

InChI=1S/C21H16O7/c1-2-11-27-16-8-9-17(19(12-16)28-13-20(23)24)18(22)10-5-14-3-6-15(7-4-14)21(25)26/h1,3-10,12H,11,13H2,(H,23,24)(H,25,26)/b10-5+