7,8-Dihydropyrene-8-carboxylate

Properties Image MNX_ID MNXM15016 reference chebi:81624 formula C17H12O2 global charge 0 mol weight 248.281 InChIKey KJCULGPSFZKSBJ-UHFFFAOYSA-N InChI InChI=1S/C17H12O2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-8,14H,9H2,(H,18,19) SMILES O=C(O)C1CC=C2C=CC3=CC=CC4=CC=C1C2=C34 MNX internals InChI (mnx) InChI=1/C17H12O2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-8,14H,9H2,(H,18,19)/t14? SMILES (mnx) [CH:1]1=[CH:2][C:10]2=[C:15]3[C:11](=[CH:3]1)[CH:6]=[CH:8][C:13]1=[C:16]3[C:12](=[CH:7][CH2:9][CH:14]1[C:17](=[O:18])[OH:19])[CH:5]=[CH:4]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0