iodanylmethane; 2-morpholin-4-ylethyl 2-oxidanyl-4-propoxy-benzoate

Systemtic Name: iodanylmethane; 2-morpholin-4-ylethyl 2-oxidanyl-4-propoxy-benzoate Openeye Name: iodomethane; 2-morpholinoethyl 2-hydroxy-4-propoxy-benzoate CAS Name: 2-hydroxy-4-propoxybenzoic acid 2-(4-morpholinyl)ethyl ester; iodomethane IUPAC Name: iodomethane; 2-morpholin-4-ylethyl 2-hydroxy-4-propoxybenzoate Traditional Name: 2-hydroxy-4-propoxy-benzoic acid 2-morpholinoethyl ester; iodomethane Formula: C17H26INO5 MolecularWeight: 451.29651

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)OCCN2CCOCC2)O.CI

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)OCCN2CCOCC2)O.CI

InChI

InChI=1S/C16H23NO5.CH3I/c1-2-8-21-13-3-4-14(15(18)12-13)16(19)22-11-7-17-5-9-20-10-6-17;1-2/h3-4,12,18H,2,5-11H2,1H3;1H3