Nom: compound 82
IUPAC: 4-coronen-1-yl-4-oxobutanoic acid
SMILES:
O=C(O)CCC(=O)c1cc2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21Canonical SMILES:
C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)C(=O)CCC(=O)OFormule moléculaire: C28H16O3
Masse molaire: 400.40
InChIKey: XUUDUJSDPIQPCB-UHFFFAOYSA-N
InChI:
PubChem CID: 54489600 →InChI=1S/C28H16O3/c29-21(11-12-22(30)31)20-13-18-8-7-16-4-2-14-1-3-15-5-6-17-9-10-19(20)28-26(17)24(15)23(14)25(16)27(18)28/h1-10,13H,11-12H2,(H,30,31)Synonymes
3-coronenoyl propionic acidSCHEMBL2802653XUUDUJSDPIQPCB-UHFFFAOYSA-Ngamma-oxo-4-(coronen-1-yl)butanoic acid
Impliqué dans 6 réactions→