Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

14I

Summary
Name:naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid
Formula:C16 H8 O6
Formal charge:0
Formula weight:296.231 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c4oc1c(c3c(cc1)ccc2oc(cc23)C(=O)O)c4
SMILES_CANONICALCACTVS3.370OC(=O)c1oc2ccc3ccc4oc(cc4c3c2c1)C(O)=O
SMILESCACTVS3.370OC(=O)c1oc2ccc3ccc4oc(cc4c3c2c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O
SMILESOpenEye OEToolkits1.7.0c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O
InChIInChI1.03InChI=1S/C16H8O6/c17-15(18)12-5-8-10(21-12)3-1-7-2-4-11-9(14(7)8)6-13(22-11)16(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyInChI1.03KPCHRAXFURQEBV-UHFFFAOYSA-N

223532

數據於2024-08-07公開中

PDB statisticsPDBj update infoContact PDBjnumon