phenethyl 3,4,5-trimethyl-2-octadecyl-benzenesulfonate

Systemtic Name: phenethyl 3,4,5-trimethyl-2-octadecyl-benzenesulfonate Openeye Name: phenethyl 3,4,5-trimethyl-2-octadecyl-benzenesulfonate CAS Name: 3,4,5-trimethyl-2-octadecylbenzenesulfonic acid phenethyl ester IUPAC Name: phenethyl 3,4,5-trimethyl-2-octadecylbenzenesulfonate Traditional Name: 3,4,5-trimethyl-2-stearyl-benzenesulfonic acid phenethyl ester Formula: C35H56O3S MolecularWeight: 556.88234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=C(C(=C1C)C)C)S(=O)(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=C(C(=C1C)C)C)S(=O)(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C35H56O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-34-32(4)31(3)30(2)29-35(34)39(36,37)38-28-27-33-24-21-20-22-25-33/h20-22,24-25,29H,5-19,23,26-28H2,1-4H3