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2-docosanoylbenzenesulfonic acid

2-docosanoylbenzenesulfonic acid

Systemtic Name:2-docosanoylbenzenesulfonic acid
Openeye Name:2-docosanoylbenzenesulfonic acid
CAS Name:2-(1-oxodocosyl)benzenesulfonic acid
IUPAC Name:2-docosanoylbenzenesulfonic acid
Traditional Name:2-docosanoylbesylic acid
Formula: C28H48O4S
MolecularWeight: 480.74332
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O


InChI

InChI=1S/C28H48O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(29)26-23-21-22-25-28(26)33(30,31)32/h21-23,25H,2-20,24H2,1H3,(H,30,31,32)


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