2-hexadecyl-6-propan-2-yl-benzenesulfonic acid

Systemtic Name: 2-hexadecyl-6-propan-2-yl-benzenesulfonic acid Openeye Name: 2-hexadecyl-6-isopropyl-benzenesulfonic acid CAS Name: 2-hexadecyl-6-propan-2-ylbenzenesulfonic acid IUPAC Name: 2-hexadecyl-6-propan-2-ylbenzenesulfonic acid Traditional Name: 2-cetyl-6-isopropyl-besylic acid Formula: C25H44O3S MolecularWeight: 424.68006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)C)S(=O)(=O)O

InChI

InChI=1S/C25H44O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-21-24(22(2)3)25(23)29(26,27)28/h18,20-22H,4-17,19H2,1-3H3,(H,26,27,28)