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

Systemtic Name: 3-[3-[2-(carboxymethyloxy)-4-prop-2-ynoxy-phenyl]-3-oxidanylidene-prop-1-en-2-yl]benzoic acid Openeye Name: 3-[1-[2-(carboxymethyloxy)-4-prop-2-ynoxy-benzoyl]vinyl]benzoic acid CAS Name: 3-[3-[2-(carboxymethyloxy)-4-prop-2-ynoxyphenyl]-3-oxoprop-1-en-2-yl]benzoic acid IUPAC Name: 3-[3-[2-(carboxymethyloxy)-4-prop-2-ynoxyphenyl]-3-oxoprop-1-en-2-yl]benzoic acid Traditional Name: 3-[1-[2-(carboxymethyloxy)-4-propargyloxy-benzoyl]vinyl]benzoic acid Formula: C21H16O7 MolecularWeight: 380.34754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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