4-hexadecyl-3-propan-2-yl-benzenesulfonic acid

Systemtic Name: 4-hexadecyl-3-propan-2-yl-benzenesulfonic acid Openeye Name: 4-hexadecyl-3-isopropyl-benzenesulfonic acid CAS Name: 4-hexadecyl-3-propan-2-ylbenzenesulfonic acid IUPAC Name: 4-hexadecyl-3-propan-2-ylbenzenesulfonic acid Traditional Name: 4-cetyl-3-isopropyl-besylic acid Formula: C25H44O3S MolecularWeight: 424.68006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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