[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] 4-dodecylbenzenesulfonate

Systemtic Name: [4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] 4-dodecylbenzenesulfonate Openeye Name: [4-(2-methyl-2-morpholino-propanoyl)phenyl] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [4-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]phenyl] ester IUPAC Name: [4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [4-(2-methyl-2-morpholino-propanoyl)phenyl] ester Formula: C32H47NO5S MolecularWeight: 557.78428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C(C)(C)N3CCOCC3

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C(C)(C)N3CCOCC3

InChI

InChI=1S/C32H47NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-27-15-21-30(22-16-27)39(35,36)38-29-19-17-28(18-20-29)31(34)32(2,3)33-23-25-37-26-24-33/h15-22H,4-14,23-26H2,1-3H3