6-oxidanylidenehexyl 4-methyl-2-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]benzenesulfonate

Systemtic Name: 6-oxidanylidenehexyl 4-methyl-2-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]benzenesulfonate Openeye Name: 6-oxohexyl 4-methyl-2-[[5-(octadecoxymethyl)tetrahydrofuran-3-yl]methoxy]benzenesulfonate CAS Name: 4-methyl-2-[[5-(octadecoxymethyl)-3-oxolanyl]methoxy]benzenesulfonic acid 6-oxohexyl ester IUPAC Name: 6-oxohexyl 4-methyl-2-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]benzenesulfonate Traditional Name: 4-methyl-2-[[5-(stearyloxymethyl)tetrahydrofuran-3-yl]methoxy]benzenesulfonic acid 6-ketohexyl ester Formula: C37H64O7S MolecularWeight: 652.96486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCC=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCC=O

InChI

InChI=1S/C37H64O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26-41-32-35-29-34(30-42-35)31-43-36-28-33(2)23-24-37(36)45(39,40)44-27-22-19-17-20-25-38/h23-25,28,34-35H,3-22,26-27,29-32H2,1-2H3