[2-(3-iodanyl-1-phenyl-propyl)-4-methyl-phenyl] ethanesulfonate

Systemtic Name: [2-(3-iodanyl-1-phenyl-propyl)-4-methyl-phenyl] ethanesulfonate Openeye Name: [2-(3-iodo-1-phenyl-propyl)-4-methyl-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-(3-iodo-1-phenylpropyl)-4-methylphenyl] ester IUPAC Name: [2-(3-iodo-1-phenylpropyl)-4-methylphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-(3-iodo-1-phenyl-propyl)-4-methyl-phenyl] ester Formula: C18H21IO3S MolecularWeight: 444.32701

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C(CCI)C2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C(CCI)C2=CC=CC=C2

InChI

InChI=1S/C18H21IO3S/c1-3-23(20,21)22-18-10-9-14(2)13-17(18)16(11-12-19)15-7-5-4-6-8-15/h4-10,13,16H,3,11-12H2,1-2H3