3-phenylpropyl 3-iodanyl-4-methyl-benzoate

Systemtic Name: 3-phenylpropyl 3-iodanyl-4-methyl-benzoate Openeye Name: 3-phenylpropyl 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid 3-phenylpropyl ester Formula: C17H17IO2 MolecularWeight: 380.22015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCC2=CC=CC=C2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCC2=CC=CC=C2)I

InChI

InChI=1S/C17H17IO2/c1-13-9-10-15(12-16(13)18)17(19)20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3