2,4-dimethylpentan-3-yl (E,7R,11R)-3,7,11,15-tetramethyl-5-methylsulfonyloxy-hexadec-2-enoate

Systemtic Name: 2,4-dimethylpentan-3-yl (E,7R,11R)-3,7,11,15-tetramethyl-5-methylsulfonyloxy-hexadec-2-enoate Openeye Name: (1-isopropyl-2-methyl-propyl) (E,7R,11R)-3,7,11,15-tetramethyl-5-methylsulfonyloxy-hexadec-2-enoate CAS Name: (E,7R,11R)-3,7,11,15-tetramethyl-5-methylsulfonyloxy-2-hexadecenoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl (E,7R,11R)-3,7,11,15-tetramethyl-5-methylsulfonyloxyhexadec-2-enoate Traditional Name: (E,7R,11R)-3,7,11,15-tetramethyl-5-methylsulfonyloxy-hexadec-2-enoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C28H54O5S MolecularWeight: 502.79036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CC(CC(=CC(=O)OC(C(C)C)C(C)C)C)OS(=O)(=O)C

Isomeric SMILES

C[C@@H](CCC[C@@H](C)CC(C/C(=C/C(=O)OC(C(C)C)C(C)C)/C)OS(=O)(=O)C)CCCC(C)C

InChI

InChI=1S/C28H54O5S/c1-20(2)13-11-14-23(7)15-12-16-24(8)17-26(33-34(10,30)31)18-25(9)19-27(29)32-28(21(3)4)22(5)6/h19-24,26,28H,11-18H2,1-10H3/b25-19+/t23-,24-,26?/m1/s1