3,4-didodecyl-2-hexadecyl-benzenesulfonic acid

Systemtic Name: 3,4-didodecyl-2-hexadecyl-benzenesulfonic acid Openeye Name: 3,4-didodecyl-2-hexadecyl-benzenesulfonic acid CAS Name: 3,4-didodecyl-2-hexadecylbenzenesulfonic acid IUPAC Name: 3,4-didodecyl-2-hexadecylbenzenesulfonic acid Traditional Name: 2-cetyl-3,4-dilauryl-besylic acid Formula: C46H86O3S MolecularWeight: 719.23824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)S(=O)(=O)O

InChI

InChI=1S/C46H86O3S/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-45-44(39-36-33-30-27-21-18-15-12-9-6-3)43(41-42-46(45)50(47,48)49)38-35-32-29-26-20-17-14-11-8-5-2/h41-42H,4-40H2,1-3H3,(H,47,48,49)