C1C

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Summary

Name:1,1'-binaphthalene-2,2'-dicarboxylic acid
Synonyms:1-(2-carboxynaphth-1yl)-2-naphthoic acid
Formula:C22 H14 O4
Formal charge:0
Molecular weight:342.344 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,1'-binaphthalene-2,2'-dicarboxylic acid
OpenEye OEToolkits1.7.01-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3
SMILES_CANONICALCACTVS3.370OC(=O)c1ccc2ccccc2c1c3c(ccc4ccccc34)C(O)=O
SMILESCACTVS3.370OC(=O)c1ccc2ccccc2c1c3c(ccc4ccccc34)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O
InChIInChI1.03InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)
InChIKeyInChI1.03YDZNRNHKJQTGCG-UHFFFAOYSA-N
167327
PDB entries from 2020-08-05