[2-ethanoyl-6-iodanyl-3,5-bis(phenylmethoxy)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethanoyl-6-iodanyl-3,5-bis(phenylmethoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: (2-acetyl-3,5-dibenzyloxy-6-iodo-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-acetyl-6-iodo-3,5-bis(phenylmethoxy)phenyl] ester IUPAC Name: [2-acetyl-6-iodo-3,5-bis(phenylmethoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-3,5-dibenzoxy-6-iodo-phenyl) ester Formula: C29H25IO6S MolecularWeight: 628.47467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2I)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2I)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C29H25IO6S/c1-20-13-15-24(16-14-20)37(32,33)36-29-27(21(2)31)25(34-18-22-9-5-3-6-10-22)17-26(28(29)30)35-19-23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3