3-(2-methylpropyl)-4-pentadecyl-benzenesulfonic acid

Systemtic Name: 3-(2-methylpropyl)-4-pentadecyl-benzenesulfonic acid Openeye Name: 3-isobutyl-4-pentadecyl-benzenesulfonic acid CAS Name: 3-(2-methylpropyl)-4-pentadecylbenzenesulfonic acid IUPAC Name: 3-(2-methylpropyl)-4-pentadecylbenzenesulfonic acid Traditional Name: 3-isobutyl-4-pentadecyl-besylic acid Formula: C25H44O3S MolecularWeight: 424.68006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C=C(C=C1)S(=O)(=O)O)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C=C(C=C1)S(=O)(=O)O)CC(C)C

InChI

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