7-iodanyl-2-methyl-8-(4-methylphenyl)sulfonyl-octan-3-ol

Systemtic Name: 7-iodanyl-2-methyl-8-(4-methylphenyl)sulfonyl-octan-3-ol Openeye Name: 7-iodo-2-methyl-8-(p-tolylsulfonyl)octan-3-ol CAS Name: 7-iodo-2-methyl-8-(4-methylphenyl)sulfonyl-3-octanol IUPAC Name: 7-iodo-2-methyl-8-(4-methylphenyl)sulfonyloctan-3-ol Traditional Name: 7-iodo-2-methyl-8-tosyl-octan-3-ol Formula: C16H25IO3S MolecularWeight: 424.33737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CCCC(C(C)C)O)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CCCC(C(C)C)O)I

InChI

InChI=1S/C16H25IO3S/c1-12(2)16(18)6-4-5-14(17)11-21(19,20)15-9-7-13(3)8-10-15/h7-10,12,14,16,18H,4-6,11H2,1-3H3