2-[(3-octadecoxy-2-phenylmethoxy-propoxy)carbonylamino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(3-octadecoxy-2-phenylmethoxy-propoxy)carbonylamino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2-benzyloxy-3-octadecoxy-propoxy)carbonylamino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[(3-octadecoxy-2-phenylmethoxypropoxy)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-octadecoxy-2-phenylmethoxypropoxy)carbonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2-benzoxy-3-stearyloxy-propoxy)carbonylamino]ethyl ester Formula: C38H61NO7S MolecularWeight: 675.95844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCCOS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCCOS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2

InChI

InChI=1S/C38H61NO7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-43-32-36(44-31-35-22-19-18-20-23-35)33-45-38(40)39-28-30-46-47(41,42)37-26-24-34(2)25-27-37/h18-20,22-27,36H,3-17,21,28-33H2,1-2H3,(H,39,40)