hexyl 4-methyl-2-[[4-(pentadecylcarbamoyloxymethyl)oxolan-2-yl]methoxy]benzenesulfonate

Systemtic Name: hexyl 4-methyl-2-[[4-(pentadecylcarbamoyloxymethyl)oxolan-2-yl]methoxy]benzenesulfonate Openeye Name: hexyl 4-methyl-2-[[4-(pentadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methoxy]benzenesulfonate CAS Name: 4-methyl-2-[[4-[[oxo-(pentadecylamino)methoxy]methyl]-2-oxolanyl]methoxy]benzenesulfonic acid hexyl ester IUPAC Name: hexyl 4-methyl-2-[[4-(pentadecylcarbamoyloxymethyl)oxolan-2-yl]methoxy]benzenesulfonate Traditional Name: 4-methyl-2-[[4-(pentadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methoxy]benzenesulfonic acid hexyl ester Formula: C35H61NO7S MolecularWeight: 639.92634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCC

InChI

InChI=1S/C35H61NO7S/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-23-36-35(37)42-28-31-26-32(40-27-31)29-41-33-25-30(3)21-22-34(33)44(38,39)43-24-20-9-7-5-2/h21-22,25,31-32H,4-20,23-24,26-29H2,1-3H3,(H,36,37)