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2-icosanoylbenzenesulfonic acid

2-icosanoylbenzenesulfonic acid

Systemtic Name:2-icosanoylbenzenesulfonic acid
Openeye Name:2-icosanoylbenzenesulfonic acid
CAS Name:2-(1-oxoeicosyl)benzenesulfonic acid
IUPAC Name:2-icosanoylbenzenesulfonic acid
Traditional Name:2-eicosanoylbesylic acid
Formula: C26H44O4S
MolecularWeight: 452.69016
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O


InChI

InChI=1S/C26H44O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(27)24-21-19-20-23-26(24)31(28,29)30/h19-21,23H,2-18,22H2,1H3,(H,28,29,30)


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