6-oxidanylidenehexyl 2-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxy]-4-methyl-benzenesulfonate

Systemtic Name: 6-oxidanylidenehexyl 2-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxy]-4-methyl-benzenesulfonate Openeye Name: 6-oxohexyl 2-[[4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methoxy]-4-methyl-benzenesulfonate CAS Name: 2-[[4-(hexadecoxymethyl)-2-oxolanyl]methoxy]-4-methylbenzenesulfonic acid 6-oxohexyl ester IUPAC Name: 6-oxohexyl 2-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxy]-4-methylbenzenesulfonate Traditional Name: 2-[[4-(cetyloxymethyl)tetrahydrofuran-2-yl]methoxy]-4-methyl-benzenesulfonic acid 6-ketohexyl ester Formula: C35H60O7S MolecularWeight: 624.9117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCC=O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC2=C(C=CC(=C2)C)S(=O)(=O)OCCCCCC=O

InChI

InChI=1S/C35H60O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24-39-28-32-27-33(40-29-32)30-41-34-26-31(2)21-22-35(34)43(37,38)42-25-20-17-15-18-23-36/h21-23,26,32-33H,3-20,24-25,27-30H2,1-2H3