(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid carbonate

Systemtic Name: (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid carbonate Openeye Name: (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid carbonate CAS Name: (E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoic acid carbonate IUPAC Name: (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid carbonate Traditional Name: (E)-2-cyano-3-(4-hydroxyphenyl)acrylic acid carbonate Formula: C21H14N2O9-2 MolecularWeight: 438.34386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)O)O.C1=CC(=CC=C1C=C(C#N)C(=O)O)O.C(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C(/C(=O)O)\C#N)O.C1=CC(=CC=C1/C=C(/C(=O)O)\C#N)O.C(=O)([O-])[O-]

InChI

InChI=1S/2C10H7NO3.CH2O3/c2*11-6-8(10(13)14)5-7-1-3-9(12)4-2-7;2-1(3)4/h2*1-5,12H,(H,13,14);(H2,2,3,4)/p-2/b2*8-5+;