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)