[[2,6-bis[(1S)-1-methoxypropyl]phenyl]-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate

Systemtic Name: [[2,6-bis[(1S)-1-methoxypropyl]phenyl]-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [[2,6-bis[(1S)-1-methoxypropyl]phenyl]-hydroxy-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[2,6-bis[(1S)-1-methoxypropyl]phenyl]-hydroxy-$l^{3}-iodanyl] ester IUPAC Name: [[2,6-bis[(1S)-1-methoxypropyl]phenyl]-hydroxy-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[2,6-bis[(1S)-1-methoxypropyl]phenyl]-hydroxy-iodinanyl] ester Formula: C21H29IO6S MolecularWeight: 536.42083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC=C1)C(CC)OC)I(O)OS(=O)(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CC[C@@H](C1=C(C(=CC=C1)[C@H](CC)OC)I(O)OS(=O)(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C21H29IO6S/c1-6-19(26-4)17-9-8-10-18(20(7-2)27-5)21(17)22(23)28-29(24,25)16-13-11-15(3)12-14-16/h8-14,19-20,23H,6-7H2,1-5H3/t19-,20-/m0/s1