[2-(4-dodecoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-dodecoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [2-(4-dodecoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-dodecoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-lauryloxyphenyl)ethynyl-phenyl-iodinanyl] ester Formula: C33H41IO4S MolecularWeight: 660.64571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CI(C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CI(C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C33H41IO4S/c1-3-4-5-6-7-8-9-10-11-15-28-37-32-22-20-30(21-23-32)26-27-34(31-16-13-12-14-17-31)38-39(35,36)33-24-18-29(2)19-25-33/h12-14,16-25H,3-11,15,28H2,1-2H3