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

Systemtic Name: (E)-2-(2-oxidanylidenepropyl)-3-(phenylmethyl)but-2-enedioic acid Openeye Name: (E)-2-acetonyl-3-benzyl-but-2-enedioic acid CAS Name: (E)-2-(2-oxopropyl)-3-(phenylmethyl)-2-butenedioic acid IUPAC Name: (E)-2-benzyl-3-(2-oxopropyl)but-2-enedioic acid Traditional Name: (E)-2-acetonyl-3-benzyl-but-2-enedioic acid Formula: C14H14O5 MolecularWeight: 262.25796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O5/c1-9(15)7-11(13(16)17)12(14(18)19)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,17)(H,18,19)/b12-11+