(E)-but-2-enedioic acid; 2-(phenylmethyl)prop-2-enoate

Systemtic Name: (E)-but-2-enedioic acid; 2-(phenylmethyl)prop-2-enoate Openeye Name: 2-benzylprop-2-enoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(phenylmethyl)-2-propenoate IUPAC Name: 2-benzylprop-2-enoate; (E)-but-2-enedioic acid Traditional Name: 2-benzylacrylate; fumaric acid Formula: C14H13O6- MolecularWeight: 277.24942

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC1=CC=CC=C1)C(=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=C(CC1=CC=CC=C1)C(=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H10O2.C4H4O4/c1-8(10(11)12)7-9-5-3-2-4-6-9;5-3(6)1-2-4(7)8/h2-6H,1,7H2,(H,11,12);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+