4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid; propane-1,3-diol

Systemtic Name: 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid; propane-1,3-diol Openeye Name: 4-[(E)-2-(4-carboxyphenyl)vinyl]benzoic acid; propane-1,3-diol CAS Name: 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid; propane-1,3-diol IUPAC Name: 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid; propane-1,3-diol Traditional Name: 4-[(E)-2-(4-carboxyphenyl)vinyl]benzoic acid; propane-1,3-diol Formula: C19H20O6 MolecularWeight: 344.3585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O.C(CO)CO

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=O)O)C(=O)O.C(CO)CO

InChI

InChI=1S/C16H12O4.C3H8O2/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20;4-2-1-3-5/h1-10H,(H,17,18)(H,19,20);4-5H,1-3H2/b2-1+;