2-[(1S,5S)-2-iodanyl-1-methyl-5-propan-2-yl-cyclopent-2-en-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(1S,5S)-2-iodanyl-1-methyl-5-propan-2-yl-cyclopent-2-en-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(1S,5S)-2-iodo-5-isopropyl-1-methyl-cyclopent-2-en-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1S,5S)-2-iodo-1-methyl-5-propan-2-yl-1-cyclopent-2-enyl]ethyl ester IUPAC Name: 2-[(1S,5S)-2-iodo-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(1S,5S)-2-iodo-5-isopropyl-1-methyl-cyclopent-2-en-1-yl]ethyl ester Formula: C18H25IO3S MolecularWeight: 448.35877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(C(CC=C2I)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@]2([C@@H](CC=C2I)C(C)C)C

InChI

InChI=1S/C18H25IO3S/c1-13(2)16-9-10-17(19)18(16,4)11-12-22-23(20,21)15-7-5-14(3)6-8-15/h5-8,10,13,16H,9,11-12H2,1-4H3/t16-,18-/m0/s1