2-octadecyl-6-propan-2-yl-benzenesulfonic acid

Systemtic Name: 2-octadecyl-6-propan-2-yl-benzenesulfonic acid Openeye Name: 2-isopropyl-6-octadecyl-benzenesulfonic acid CAS Name: 2-octadecyl-6-propan-2-ylbenzenesulfonic acid IUPAC Name: 2-octadecyl-6-propan-2-ylbenzenesulfonic acid Traditional Name: 2-isopropyl-6-stearyl-besylic acid Formula: C27H48O3S MolecularWeight: 452.73322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)C)S(=O)(=O)O

InChI

InChI=1S/C27H48O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-23-26(24(2)3)27(25)31(28,29)30/h20,22-24H,4-19,21H2,1-3H3,(H,28,29,30)