(E)-but-2-enedioic acid; (3E)-4-phenylbuta-1,3-diene-2-sulfonate

Systemtic Name: (E)-but-2-enedioic acid; (3E)-4-phenylbuta-1,3-diene-2-sulfonate Openeye Name: fumaric acid; (3E)-4-phenylbuta-1,3-diene-2-sulfonate CAS Name: (E)-2-butenedioic acid; (3E)-4-phenyl-2-buta-1,3-dienesulfonate IUPAC Name: (E)-but-2-enedioic acid; (3E)-4-phenylbuta-1,3-diene-2-sulfonate Traditional Name: fumaric acid; (3E)-4-phenylbuta-1,3-diene-2-sulfonate Formula: C14H13O7S- MolecularWeight: 325.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O3S.C4H4O4/c1-9(14(11,12)13)7-8-10-5-3-2-4-6-10;5-3(6)1-2-4(7)8/h2-8H,1H2,(H,11,12,13);1-2H,(H,5,6)(H,7,8)/p-1/b8-7+;2-1+