phenethyl 3-iodanyl-4-methyl-benzoate

Systemtic Name: phenethyl 3-iodanyl-4-methyl-benzoate Openeye Name: phenethyl 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid phenethyl ester IUPAC Name: phenethyl 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid phenethyl ester Formula: C16H15IO2 MolecularWeight: 366.19357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCC2=CC=CC=C2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCC2=CC=CC=C2)I

InChI

InChI=1S/C16H15IO2/c1-12-7-8-14(11-15(12)17)16(18)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3