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pyridine; 2-sulfodocosanoic acid

pyridine; 2-sulfodocosanoic acid

Systemtic Name:pyridine; 2-sulfodocosanoic acid
Openeye Name:pyridine; 2-sulfodocosanoic acid
CAS Name:pyridine; 2-sulfodocosanoic acid
IUPAC Name:pyridine; 2-sulfodocosanoic acid
Traditional Name:pyridine; 2-sulfobehenic acid
Formula: C27H49NO5S
MolecularWeight: 499.74666
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O.C1=CC=NC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O.C1=CC=NC=C1


InChI

InChI=1S/C22H44O5S.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(23)24)28(25,26)27;1-2-4-6-5-3-1/h21H,2-20H2,1H3,(H,23,24)(H,25,26,27);1-5H


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