15-(4-iodophenyl)pentadecyl 4-methylbenzenesulfonate

Systemtic Name: 15-(4-iodophenyl)pentadecyl 4-methylbenzenesulfonate Openeye Name: 15-(4-iodophenyl)pentadecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 15-(4-iodophenyl)pentadecyl ester IUPAC Name: 15-(4-iodophenyl)pentadecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 15-(4-iodophenyl)pentadecyl ester Formula: C28H41IO3S MolecularWeight: 584.59281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCC2=CC=C(C=C2)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCC2=CC=C(C=C2)I

InChI

InChI=1S/C28H41IO3S/c1-25-16-22-28(23-17-25)33(30,31)32-24-14-12-10-8-6-4-2-3-5-7-9-11-13-15-26-18-20-27(29)21-19-26/h16-23H,2-15,24H2,1H3