[4-[(1R)-1-(2-iodanyl-4-methanoyl-phenoxy)prop-2-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(1R)-1-(2-iodanyl-4-methanoyl-phenoxy)prop-2-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(1R)-1-(4-formyl-2-iodo-phenoxy)allyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(1R)-1-(4-formyl-2-iodophenoxy)prop-2-enyl]phenyl] ester IUPAC Name: [4-[(1R)-1-(4-formyl-2-iodophenoxy)prop-2-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(1R)-1-(4-formyl-2-iodo-phenoxy)allyl]phenyl] ester Formula: C23H19IO5S MolecularWeight: 534.36343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C=C)OC3=C(C=C(C=C3)C=O)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[C@@H](C=C)OC3=C(C=C(C=C3)C=O)I

InChI

InChI=1S/C23H19IO5S/c1-3-22(28-23-13-6-17(15-25)14-21(23)24)18-7-9-19(10-8-18)29-30(26,27)20-11-4-16(2)5-12-20/h3-15,22H,1H2,2H3/t22-/m1/s1