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

Systemtic Name: [[2-methoxy-6-[(1S)-1-methoxyethyl]phenyl]-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [hydroxy-[2-methoxy-6-[(1S)-1-methoxyethyl]phenyl]-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[2-methoxy-6-[(1S)-1-methoxyethyl]phenyl]-$l^{3}-iodanyl] ester IUPAC Name: [hydroxy-[2-methoxy-6-[(1S)-1-methoxyethyl]phenyl]-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [hydroxy-[2-methoxy-6-[(1S)-1-methoxyethyl]phenyl]iodinanyl] ester Formula: C17H21IO6S MolecularWeight: 480.31451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=C(C=CC=C2OC)C(C)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=C(C=CC=C2OC)[C@H](C)OC)O

InChI

InChI=1S/C17H21IO6S/c1-12-8-10-14(11-9-12)25(20,21)24-18(19)17-15(13(2)22-3)6-5-7-16(17)23-4/h5-11,13,19H,1-4H3/t13-/m0/s1