(E)-but-2-enedioic acid; prop-1-en-2-ylbenzene

Systemtic Name: (E)-but-2-enedioic acid; prop-1-en-2-ylbenzene Openeye Name: fumaric acid; isopropenylbenzene CAS Name: (E)-2-butenedioic acid; 1-methylethenylbenzene IUPAC Name: (E)-but-2-enedioic acid; prop-1-en-2-ylbenzene Traditional Name: fumaric acid; isopropenylbenzene Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=C)C1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H10.C4H4O4/c1-8(2)9-6-4-3-5-7-9;5-3(6)1-2-4(7)8/h3-7H,1H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+