1-(2-hexadecylphenyl)-2,2-dimethyl-propane-1-sulfonic acid

Systemtic Name: 1-(2-hexadecylphenyl)-2,2-dimethyl-propane-1-sulfonic acid Openeye Name: 1-(2-hexadecylphenyl)-2,2-dimethyl-propane-1-sulfonic acid CAS Name: 1-(2-hexadecylphenyl)-2,2-dimethyl-1-propanesulfonic acid IUPAC Name: 1-(2-hexadecylphenyl)-2,2-dimethylpropane-1-sulfonic acid Traditional Name: 1-(2-cetylphenyl)-2,2-dimethyl-propane-1-sulfonic acid Formula: C27H48O3S MolecularWeight: 452.73322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(C(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(C(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C27H48O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22-19-20-23-25(24)26(27(2,3)4)31(28,29)30/h19-20,22-23,26H,5-18,21H2,1-4H3,(H,28,29,30)