2-hexadecanoylbenzenesulfonic acid

Systemtic Name: 2-hexadecanoylbenzenesulfonic acid Openeye Name: 2-hexadecanoylbenzenesulfonic acid CAS Name: 2-(1-oxohexadecyl)benzenesulfonic acid IUPAC Name: 2-hexadecanoylbenzenesulfonic acid Traditional Name: 2-hexadecanoylbesylic acid Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C22H36O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(23)20-17-15-16-19-22(20)27(24,25)26/h15-17,19H,2-14,18H2,1H3,(H,24,25,26)