(E)-2-naphthalen-1-yl-3-(2-oxidanylidenebutyl)but-2-enedioic acid

Systemtic Name: (E)-2-naphthalen-1-yl-3-(2-oxidanylidenebutyl)but-2-enedioic acid Openeye Name: (E)-2-(1-naphthyl)-3-(2-oxobutyl)but-2-enedioic acid CAS Name: (E)-2-(1-naphthalenyl)-3-(2-oxobutyl)-2-butenedioic acid IUPAC Name: (E)-2-naphthalen-1-yl-3-(2-oxobutyl)but-2-enedioic acid Traditional Name: (E)-2-(2-ketobutyl)-3-(1-naphthyl)but-2-enedioic acid Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=C(C1=CC=CC2=CC=CC=C21)C(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)C/C(=C(/C1=CC=CC2=CC=CC=C21)\C(=O)O)/C(=O)O

InChI

InChI=1S/C18H16O5/c1-2-12(19)10-15(17(20)21)16(18(22)23)14-9-5-7-11-6-3-4-8-13(11)14/h3-9H,2,10H2,1H3,(H,20,21)(H,22,23)/b16-15+