(E)-2-tert-butyl-3-phenethyl-but-2-enedioate

Systemtic Name: (E)-2-tert-butyl-3-phenethyl-but-2-enedioate Openeye Name: (E)-2-tert-butyl-3-phenethyl-but-2-enedioate CAS Name: (E)-2-tert-butyl-3-phenethyl-2-butenedioate IUPAC Name: (E)-2-tert-butyl-3-phenethylbut-2-enedioate Traditional Name: (E)-2-tert-butyl-3-phenethyl-but-2-enedioate Formula: C16H18O4-2 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(CCC1=CC=CC=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)/C(=C(/CCC1=CC=CC=C1)\C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C16H20O4/c1-16(2,3)13(15(19)20)12(14(17)18)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,18)(H,19,20)/p-2/b13-12-