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

Systemtic Name: pentyl 4-methyl-2-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]benzenesulfonate Openeye Name: pentyl 4-methyl-2-[[5-(octadecoxymethyl)tetrahydrofuran-3-yl]methoxy]benzenesulfonate CAS Name: 4-methyl-2-[[5-(octadecoxymethyl)-3-oxolanyl]methoxy]benzenesulfonic acid pentyl ester IUPAC Name: pentyl 4-methyl-2-[[5-(octadecoxymethyl)oxolan-3-yl]methoxy]benzenesulfonate Traditional Name: 4-methyl-2-[[5-(stearyloxymethyl)tetrahydrofuran-3-yl]methoxy]benzenesulfonic acid amyl ester Formula: C36H64O6S MolecularWeight: 624.95476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H64O6S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-39-31-34-28-33(29-40-34)30-41-35-27-32(3)23-24-36(35)43(37,38)42-26-21-7-5-2/h23-24,27,33-34H,4-22,25-26,28-31H2,1-3H3