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

Systemtic Name: [2-(4-decoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [2-(4-decoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-decoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] ester IUPAC Name: [2-(4-decoxyphenyl)ethynyl-phenyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-decoxyphenyl)ethynyl-phenyl-iodinanyl] ester Formula: C31H37IO4S MolecularWeight: 632.59255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C#CI(C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C#CI(C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H37IO4S/c1-3-4-5-6-7-8-9-13-26-35-30-20-18-28(19-21-30)24-25-32(29-14-11-10-12-15-29)36-37(33,34)31-22-16-27(2)17-23-31/h10-12,14-23H,3-9,13,26H2,1-2H3