disodium 4-[(E)-3-[4-(carboxymethyloxy)phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: disodium 4-[(E)-3-[4-(carboxymethyloxy)phenyl]prop-2-enoyl]benzoic acid Openeye Name: disodium 4-[(E)-3-[4-(carboxymethyloxy)phenyl]prop-2-enoyl]benzoic acid CAS Name: disodium 4-[(E)-3-[4-(carboxymethyloxy)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: disodium 4-[(E)-3-[4-(carboxymethyloxy)phenyl]prop-2-enoyl]benzoic acid Traditional Name: disodium 4-[(E)-3-[4-(carboxymethyloxy)phenyl]acryloyl]benzoic acid Formula: C18H14Na2O6+2 MolecularWeight: 372.2797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)C(=O)O)OCC(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)C(=O)O)OCC(=O)O.[Na+].[Na+]

InChI

InChI=1S/C18H14O6.2Na/c19-16(13-4-6-14(7-5-13)18(22)23)10-3-12-1-8-15(9-2-12)24-11-17(20)21;;/h1-10H,11H2,(H,20,21)(H,22,23);;/q;2*+1/b10-3+;;