(16-morpholin-4-yl-16-oxidanylidene-hexadecyl) 4-methylbenzenesulfonate

Systemtic Name: (16-morpholin-4-yl-16-oxidanylidene-hexadecyl) 4-methylbenzenesulfonate Openeye Name: (16-morpholino-16-oxo-hexadecyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [16-(4-morpholinyl)-16-oxohexadecyl] ester IUPAC Name: (16-morpholin-4-yl-16-oxohexadecyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (16-keto-16-morpholino-hexadecyl) ester Formula: C27H45NO5S MolecularWeight: 495.7149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCC(=O)N2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCCC(=O)N2CCOCC2

InChI

InChI=1S/C27H45NO5S/c1-25-16-18-26(19-17-25)34(30,31)33-22-14-12-10-8-6-4-2-3-5-7-9-11-13-15-27(29)28-20-23-32-24-21-28/h16-19H,2-15,20-24H2,1H3