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

Systemtic Name: 2,4-dimethylpentan-3-yl (E,7R,11R)-3,7,11,15-tetramethyl-5-oxidanyl-hexadec-2-enoate Openeye Name: (1-isopropyl-2-methyl-propyl) (E,7R,11R)-5-hydroxy-3,7,11,15-tetramethyl-hexadec-2-enoate CAS Name: (E,7R,11R)-5-hydroxy-3,7,11,15-tetramethyl-2-hexadecenoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl (E,7R,11R)-5-hydroxy-3,7,11,15-tetramethylhexadec-2-enoate Traditional Name: (E,7R,11R)-5-hydroxy-3,7,11,15-tetramethyl-hexadec-2-enoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C27H52O3 MolecularWeight: 424.69998

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H52O3/c1-19(2)12-10-13-22(7)14-11-15-23(8)16-25(28)17-24(9)18-26(29)30-27(20(3)4)21(5)6/h18-23,25,27-28H,10-17H2,1-9H3/b24-18+/t22-,23-,25?/m1/s1