6-oxidanylidenehexyl 4-methyl-2-(oxolan-2-ylmethoxy)-5-pentadecyl-benzenesulfonate

Systemtic Name: 6-oxidanylidenehexyl 4-methyl-2-(oxolan-2-ylmethoxy)-5-pentadecyl-benzenesulfonate Openeye Name: 6-oxohexyl 4-methyl-5-pentadecyl-2-(tetrahydrofuran-2-ylmethoxy)benzenesulfonate CAS Name: 4-methyl-2-(2-oxolanylmethoxy)-5-pentadecylbenzenesulfonic acid 6-oxohexyl ester IUPAC Name: 6-oxohexyl 4-methyl-2-(oxolan-2-ylmethoxy)-5-pentadecylbenzenesulfonate Traditional Name: 4-methyl-5-pentadecyl-2-(tetrahydrofurfuryloxy)benzenesulfonic acid 6-ketohexyl ester Formula: C33H56O6S MolecularWeight: 580.85914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C=C1C)OCC2CCCO2)S(=O)(=O)OCCCCCC=O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C=C1C)OCC2CCCO2)S(=O)(=O)OCCCCCC=O

InChI

InChI=1S/C33H56O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-30-27-33(40(35,36)39-25-19-16-15-18-23-34)32(26-29(30)2)38-28-31-22-20-24-37-31/h23,26-27,31H,3-22,24-25,28H2,1-2H3