2-phenylpropan-2-yl 2-dodecylbenzenesulfonate

Systemtic Name: 2-phenylpropan-2-yl 2-dodecylbenzenesulfonate Openeye Name: (1-methyl-1-phenyl-ethyl) 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonic acid 2-phenylpropan-2-yl ester IUPAC Name: 2-phenylpropan-2-yl 2-dodecylbenzenesulfonate Traditional Name: 2-laurylbenzenesulfonic acid cumyl ester Formula: C27H40O3S MolecularWeight: 444.6697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC(C)(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C27H40O3S/c1-4-5-6-7-8-9-10-11-12-14-19-24-20-17-18-23-26(24)31(28,29)30-27(2,3)25-21-15-13-16-22-25/h13,15-18,20-23H,4-12,14,19H2,1-3H3