3,4,5-tridodecyl-2-propan-2-yloxy-benzenesulfonic acid

Systemtic Name: 3,4,5-tridodecyl-2-propan-2-yloxy-benzenesulfonic acid Openeye Name: 3,4,5-tridodecyl-2-isopropoxy-benzenesulfonic acid CAS Name: 3,4,5-tridodecyl-2-propan-2-yloxybenzenesulfonic acid IUPAC Name: 3,4,5-tridodecyl-2-propan-2-yloxybenzenesulfonic acid Traditional Name: 2-isopropoxy-3,4,5-trilauryl-besylic acid Formula: C45H84O4S MolecularWeight: 721.21106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)OC(C)C)S(=O)(=O)O

InChI

InChI=1S/C45H84O4S/c1-6-9-12-15-18-21-24-27-30-33-36-41-39-44(50(46,47)48)45(49-40(4)5)43(38-35-32-29-26-23-20-17-14-11-8-3)42(41)37-34-31-28-25-22-19-16-13-10-7-2/h39-40H,6-38H2,1-5H3,(H,46,47,48)