phenacyl 3-iodanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: phenacyl 3-iodanyl-5-methoxy-4-propoxy-benzoate Openeye Name: phenacyl 3-iodo-5-methoxy-4-propoxy-benzoate CAS Name: 3-iodo-5-methoxy-4-propoxybenzoic acid phenacyl ester IUPAC Name: phenacyl 3-iodo-5-methoxy-4-propoxybenzoate Traditional Name: 3-iodo-5-methoxy-4-propoxy-benzoic acid phenacyl ester Formula: C19H19IO5 MolecularWeight: 454.25563

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C(=O)OCC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)C(=O)OCC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C19H19IO5/c1-3-9-24-18-15(20)10-14(11-17(18)23-2)19(22)25-12-16(21)13-7-5-4-6-8-13/h4-8,10-11H,3,9,12H2,1-2H3