3-(2-iodanyl-5-methoxy-4-methyl-phenyl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(2-iodanyl-5-methoxy-4-methyl-phenyl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(2-iodo-5-methoxy-4-methyl-phenyl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(2-iodo-5-methoxy-4-methylphenyl)propyl ester IUPAC Name: 3-(2-iodo-5-methoxy-4-methylphenyl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(2-iodo-5-methoxy-4-methyl-phenyl)propyl ester Formula: C18H21IO4S MolecularWeight: 460.32641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=C(C=C2I)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=C(C=C2I)C)OC

InChI

InChI=1S/C18H21IO4S/c1-13-6-8-16(9-7-13)24(20,21)23-10-4-5-15-12-18(22-3)14(2)11-17(15)19/h6-9,11-12H,4-5,10H2,1-3H3