(E)-2-oxidanylidene-4-(2-oxidanylpyren-1-yl)but-3-enoic acid

Systemtic Name: (E)-2-oxidanylidene-4-(2-oxidanylpyren-1-yl)but-3-enoic acid Openeye Name: (E)-4-(2-hydroxypyren-1-yl)-2-oxo-but-3-enoic acid CAS Name: (E)-4-(2-hydroxy-1-pyrenyl)-2-oxo-3-butenoic acid IUPAC Name: (E)-4-(2-hydroxypyren-1-yl)-2-oxobut-3-enoic acid Traditional Name: (E)-4-(2-hydroxypyren-1-yl)-2-keto-but-3-enoic acid Formula: C20H12O4 MolecularWeight: 316.30688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4C=CC(=O)C(=O)O)O)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4/C=C/C(=O)C(=O)O)O)C=C2

InChI

InChI=1S/C20H12O4/c21-16(20(23)24)9-8-14-15-7-6-12-3-1-2-11-4-5-13(10-17(14)22)19(15)18(11)12/h1-10,22H,(H,23,24)/b9-8+