(4-decoxyphenyl) 4-[(3-hexyloxiran-2-yl)methylsulfonylmethyl]benzoate

Systemtic Name: (4-decoxyphenyl) 4-[(3-hexyloxiran-2-yl)methylsulfonylmethyl]benzoate Openeye Name: (4-decoxyphenyl) 4-[(3-hexyloxiran-2-yl)methylsulfonylmethyl]benzoate CAS Name: 4-[(3-hexyl-2-oxiranyl)methylsulfonylmethyl]benzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 4-[(3-hexyloxiran-2-yl)methylsulfonylmethyl]benzoate Traditional Name: 4-[(3-hexyloxiran-2-yl)methylsulfonylmethyl]benzoic acid (4-decoxyphenyl) ester Formula: C33H48O6S MolecularWeight: 572.79562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC3C(O3)CCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)CC3C(O3)CCCCCC

InChI

InChI=1S/C33H48O6S/c1-3-5-7-9-10-11-12-14-24-37-29-20-22-30(23-21-29)38-33(34)28-18-16-27(17-19-28)25-40(35,36)26-32-31(39-32)15-13-8-6-4-2/h16-23,31-32H,3-15,24-26H2,1-2H3