2-[1,1-bis(4-tert-butylphenyl)dodecyl]benzenesulfonate

Systemtic Name: 2-[1,1-bis(4-tert-butylphenyl)dodecyl]benzenesulfonate Openeye Name: 2-[1,1-bis(4-tert-butylphenyl)dodecyl]benzenesulfonate CAS Name: 2-[1,1-bis(4-tert-butylphenyl)dodecyl]benzenesulfonate IUPAC Name: 2-[1,1-bis(4-tert-butylphenyl)dodecyl]benzenesulfonate Traditional Name: 2-[1,1-bis(4-tert-butylphenyl)dodecyl]besylate Formula: C38H53O3S- MolecularWeight: 589.89062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=C(C=C1)C(C)(C)C)(C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=C(C=C1)C(C)(C)C)(C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3S(=O)(=O)[O-]

InChI

InChI=1S/C38H54O3S/c1-8-9-10-11-12-13-14-15-18-29-38(32-25-21-30(22-26-32)36(2,3)4,33-27-23-31(24-28-33)37(5,6)7)34-19-16-17-20-35(34)42(39,40)41/h16-17,19-28H,8-15,18,29H2,1-7H3,(H,39,40,41)/p-1