(E)-but-2-enedioic acid; (Z)-2-[(E)-2-phenylethenyl]hept-2-enoate

Systemtic Name: (E)-but-2-enedioic acid; (Z)-2-[(E)-2-phenylethenyl]hept-2-enoate Openeye Name: fumaric acid; (Z)-2-[(E)-styryl]hept-2-enoate CAS Name: (E)-2-butenedioic acid; (Z)-2-[(E)-2-phenylethenyl]-2-heptenoate IUPAC Name: (E)-but-2-enedioic acid; (Z)-2-[(E)-2-phenylethenyl]hept-2-enoate Traditional Name: fumaric acid; (Z)-2-[(E)-styryl]hept-2-enoate Formula: C19H21O6- MolecularWeight: 345.36644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O2.C4H4O4/c1-2-3-5-10-14(15(16)17)12-11-13-8-6-4-7-9-13;5-3(6)1-2-4(7)8/h4,6-12H,2-3,5H2,1H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/p-1/b12-11+,14-10-;2-1+