2-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxycarbonylamino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxycarbonylamino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methoxycarbonylamino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[[4-(hexadecoxymethyl)-2-oxolanyl]methoxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxycarbonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[4-(cetyloxymethyl)tetrahydrofuran-2-yl]methoxycarbonylamino]ethyl ester Formula: C32H55NO7S MolecularWeight: 597.8466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)NCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)NCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C32H55NO7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-37-25-29-24-30(38-26-29)27-39-32(34)33-21-23-40-41(35,36)31-19-17-28(2)18-20-31/h17-20,29-30H,3-16,21-27H2,1-2H3,(H,33,34)