12-[4-(4-cyanophenyl)phenoxy]dodecyl 4-methylbenzenesulfonate

Systemtic Name: 12-[4-(4-cyanophenyl)phenoxy]dodecyl 4-methylbenzenesulfonate Openeye Name: 12-[4-(4-cyanophenyl)phenoxy]dodecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 12-[4-(4-cyanophenyl)phenoxy]dodecyl ester IUPAC Name: 12-[4-(4-cyanophenyl)phenoxy]dodecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 12-[4-(4-cyanophenyl)phenoxy]dodecyl ester Formula: C32H39NO4S MolecularWeight: 533.72136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C32H39NO4S/c1-27-12-22-32(23-13-27)38(34,35)37-25-11-9-7-5-3-2-4-6-8-10-24-36-31-20-18-30(19-21-31)29-16-14-28(26-33)15-17-29/h12-23H,2-11,24-25H2,1H3