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

Systemtic Name: 2,3-didodecyl-4-phenoxy-benzenesulfonic acid Openeye Name: 2,3-didodecyl-4-phenoxy-benzenesulfonic acid CAS Name: 2,3-didodecyl-4-phenoxybenzenesulfonic acid IUPAC Name: 2,3-didodecyl-4-phenoxybenzenesulfonic acid Traditional Name: 2,3-dilauryl-4-phenoxy-besylic acid Formula: C36H58O4S MolecularWeight: 586.90832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1CCCCCCCCCCCC)S(=O)(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1CCCCCCCCCCCC)S(=O)(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C36H58O4S/c1-3-5-7-9-11-13-15-17-19-24-28-33-34(29-25-20-18-16-14-12-10-8-6-4-2)36(41(37,38)39)31-30-35(33)40-32-26-22-21-23-27-32/h21-23,26-27,30-31H,3-20,24-25,28-29H2,1-2H3,(H,37,38,39)