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

Systemtic Name: 2-[ethanoyl-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxycarbonyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[acetyl-[[4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methoxycarbonyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[acetyl-[[4-(hexadecoxymethyl)-2-oxolanyl]methoxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[acetyl-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxycarbonyl]amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[acetyl-[[4-(cetyloxymethyl)tetrahydrofuran-2-yl]methoxycarbonyl]amino]ethyl ester Formula: C34H57NO8S MolecularWeight: 639.88328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H57NO8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-40-26-31-25-32(41-27-31)28-42-34(37)35(30(3)36)22-24-43-44(38,39)33-20-18-29(2)19-21-33/h18-21,31-32H,4-17,22-28H2,1-3H3