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

Systemtic Name: (E)-2-(2-oxidanylidenebutyl)-3-(phenylmethyl)but-2-enedioic acid Openeye Name: (E)-2-benzyl-3-(2-oxobutyl)but-2-enedioic acid CAS Name: (E)-2-(2-oxobutyl)-3-(phenylmethyl)-2-butenedioic acid IUPAC Name: (E)-2-benzyl-3-(2-oxobutyl)but-2-enedioic acid Traditional Name: (E)-2-benzyl-3-(2-ketobutyl)but-2-enedioic acid Formula: C15H16O5 MolecularWeight: 276.28454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=C(CC1=CC=CC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)C/C(=C(/CC1=CC=CC=C1)\C(=O)O)/C(=O)O

InChI

InChI=1S/C15H16O5/c1-2-11(16)9-13(15(19)20)12(14(17)18)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)(H,19,20)/b13-12+