2-icosyl-3-propan-2-yl-benzenesulfonic acid

Systemtic Name: 2-icosyl-3-propan-2-yl-benzenesulfonic acid Openeye Name: 2-icosyl-3-isopropyl-benzenesulfonic acid CAS Name: 2-eicosyl-3-propan-2-ylbenzenesulfonic acid IUPAC Name: 2-icosyl-3-propan-2-ylbenzenesulfonic acid Traditional Name: 2-arachyl-3-isopropyl-besylic acid Formula: C29H52O3S MolecularWeight: 480.78638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)C(C)C

InChI

InChI=1S/C29H52O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-27(26(2)3)24-22-25-29(28)33(30,31)32/h22,24-26H,4-21,23H2,1-3H3,(H,30,31,32)