3-ethyl-2-heptadecyl-benzenesulfonic acid

Systemtic Name: 3-ethyl-2-heptadecyl-benzenesulfonic acid Openeye Name: 3-ethyl-2-heptadecyl-benzenesulfonic acid CAS Name: 3-ethyl-2-heptadecylbenzenesulfonic acid IUPAC Name: 3-ethyl-2-heptadecylbenzenesulfonic acid Traditional Name: 3-ethyl-2-heptadecyl-besylic acid Formula: C25H44O3S MolecularWeight: 424.68006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)CC

InChI

InChI=1S/C25H44O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-23(4-2)20-19-22-25(24)29(26,27)28/h19-20,22H,3-18,21H2,1-2H3,(H,26,27,28)