(1-iodanyl-7-methylsulfonyloxy-heptan-4-yl) 2-methoxy-2-naphthalen-2-yl-ethanoate

Systemtic Name: (1-iodanyl-7-methylsulfonyloxy-heptan-4-yl) 2-methoxy-2-naphthalen-2-yl-ethanoate Openeye Name: [1-(3-iodopropyl)-4-methylsulfonyloxy-butyl] 2-methoxy-2-(2-naphthyl)acetate CAS Name: 2-methoxy-2-(2-naphthalenyl)acetic acid (1-iodo-7-methylsulfonyloxyheptan-4-yl) ester IUPAC Name: (1-iodo-7-methylsulfonyloxyheptan-4-yl) 2-methoxy-2-naphthalen-2-ylacetate Traditional Name: 2-methoxy-2-(2-naphthyl)acetic acid [1-(3-iodopropyl)-4-methylsulfonyloxy-butyl] ester Formula: C21H27IO6S MolecularWeight: 534.40495

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC2=CC=CC=C2C=C1)C(=O)OC(CCCOS(=O)(=O)C)CCCI

Isomeric SMILES

COC(C1=CC2=CC=CC=C2C=C1)C(=O)OC(CCCOS(=O)(=O)C)CCCI

InChI

InChI=1S/C21H27IO6S/c1-26-20(18-12-11-16-7-3-4-8-17(16)15-18)21(23)28-19(9-5-13-22)10-6-14-27-29(2,24)25/h3-4,7-8,11-12,15,19-20H,5-6,9-10,13-14H2,1-2H3