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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C32H55NO7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-38-26-29-25-31(39-27-29)33(32(34)37-3)22-24-40-41(35,36)30-20-18-28(2)19-21-30/h18-21,29,31H,4-17,22-27H2,1-3H3