(E)-2-(2-oxidanylidenebutyl)-3-phenethyl-but-2-enedioic acid

Systemtic Name: (E)-2-(2-oxidanylidenebutyl)-3-phenethyl-but-2-enedioic acid Openeye Name: (E)-2-(2-oxobutyl)-3-phenethyl-but-2-enedioic acid CAS Name: (E)-2-(2-oxobutyl)-3-phenethyl-2-butenedioic acid IUPAC Name: (E)-2-(2-oxobutyl)-3-phenethylbut-2-enedioic acid Traditional Name: (E)-2-(2-ketobutyl)-3-phenethyl-but-2-enedioic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=C(CCC1=CC=CC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)C/C(=C(/CCC1=CC=CC=C1)\C(=O)O)/C(=O)O

InChI

InChI=1S/C16H18O5/c1-2-12(17)10-14(16(20)21)13(15(18)19)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,18,19)(H,20,21)/b14-13+