2-icosan-4-ylbenzenesulfonic acid

Systemtic Name: 2-icosan-4-ylbenzenesulfonic acid Openeye Name: 2-(1-propylheptadecyl)benzenesulfonic acid CAS Name: 2-eicosan-4-ylbenzenesulfonic acid IUPAC Name: 2-icosan-4-ylbenzenesulfonic acid Traditional Name: 2-(1-propylheptadecyl)besylic acid Formula: C26H46O3S MolecularWeight: 438.70664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCC)C1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCC)C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C26H46O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(20-4-2)25-22-18-19-23-26(25)30(27,28)29/h18-19,22-24H,3-17,20-21H2,1-2H3,(H,27,28,29)