4-hexadecoxybenzenesulfonic acid

Systemtic Name: 4-hexadecoxybenzenesulfonic acid Openeye Name: 4-hexadecoxybenzenesulfonic acid CAS Name: 4-hexadecoxybenzenesulfonic acid IUPAC Name: 4-hexadecoxybenzenesulfonic acid Traditional Name: 4-cetyloxybesylic acid Formula: C22H38O4S MolecularWeight: 398.59972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-21-16-18-22(19-17-21)27(23,24)25/h16-19H,2-15,20H2,1H3,(H,23,24,25)