Chemical Components in the PDB

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C1C : Summary

Code

C1C

One-letter code

X

Molecule name

1,1'-binaphthalene-2,2'-dicarboxylic acid

Synonyms

1-(2-carboxynaphth-1yl)-2-naphthoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 1,1'-binaphthalene-2,2'-dicarboxylic acid
OpenEye OEToolkits 1.7.0 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid

Formula

C22 H14 O4

Formal charge

0

Molecular weight

342.344 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3
SMILES CACTVS 3.370 OC(=O)c1ccc2ccccc2c1c3c(ccc4ccccc34)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)c1ccc2ccccc2c1c3c(ccc4ccccc34)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O

IUPAC InChI

InChI=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)

IUPAC InChI key

YDZNRNHKJQTGCG-UHFFFAOYSA-N
C1C

wwPDB Information

Atom count

40 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-04-19

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned