hexyl 2-[[5-(hexadecoxymethyl)oxolan-3-yl]methoxy]-4-methyl-benzenesulfonate

Systemtic Name: hexyl 2-[[5-(hexadecoxymethyl)oxolan-3-yl]methoxy]-4-methyl-benzenesulfonate Openeye Name: hexyl 2-[[5-(hexadecoxymethyl)tetrahydrofuran-3-yl]methoxy]-4-methyl-benzenesulfonate CAS Name: 2-[[5-(hexadecoxymethyl)-3-oxolanyl]methoxy]-4-methylbenzenesulfonic acid hexyl ester IUPAC Name: hexyl 2-[[5-(hexadecoxymethyl)oxolan-3-yl]methoxy]-4-methylbenzenesulfonate Traditional Name: 2-[[5-(cetyloxymethyl)tetrahydrofuran-3-yl]methoxy]-4-methyl-benzenesulfonic acid hexyl ester Formula: C35H62O6S MolecularWeight: 610.92818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(CO1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(CO1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCC

InChI

InChI=1S/C35H62O6S/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-24-38-30-33-27-32(28-39-33)29-40-34-26-31(3)22-23-35(34)42(36,37)41-25-21-9-7-5-2/h22-23,26,32-33H,4-21,24-25,27-30H2,1-3H3