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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4O)C=CC(=O)C(=O)O)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4O)/C=C/C(=O)C(=O)O)C=C2

InChI

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