(4-iodanyl-2-methanoyl-6-prop-2-enyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-iodanyl-2-methanoyl-6-prop-2-enyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-allyl-6-formyl-4-iodo-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-formyl-4-iodo-6-prop-2-enylphenyl) ester IUPAC Name: (2-formyl-4-iodo-6-prop-2-enylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-allyl-6-formyl-4-iodo-phenyl) ester Formula: C17H15IO4S MolecularWeight: 442.26807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C=O)I)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C=O)I)CC=C

InChI

InChI=1S/C17H15IO4S/c1-3-4-13-9-15(18)10-14(11-19)17(13)22-23(20,21)16-7-5-12(2)6-8-16/h3,5-11H,1,4H2,2H3