(E)-but-2-enedioic acid; 2,2-dimethyl-6-phenyl-hexan-3-one

Systemtic Name: (E)-but-2-enedioic acid; 2,2-dimethyl-6-phenyl-hexan-3-one Openeye Name: 2,2-dimethyl-6-phenyl-hexan-3-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2,2-dimethyl-6-phenyl-3-hexanone IUPAC Name: (E)-but-2-enedioic acid; 2,2-dimethyl-6-phenylhexan-3-one Traditional Name: 2,2-dimethyl-6-phenyl-hexan-3-one; fumaric acid Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCCC1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)CCCC1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20O.C4H4O4/c1-14(2,3)13(15)11-7-10-12-8-5-4-6-9-12;5-3(6)1-2-4(7)8/h4-6,8-9H,7,10-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+