[(2R)-octan-2-yl] 4-[(2S,4R,5S)-5-decyl-4-methyl-1,3-dioxan-2-yl]benzoate

Systemtic Name: [(2R)-octan-2-yl] 4-[(2S,4R,5S)-5-decyl-4-methyl-1,3-dioxan-2-yl]benzoate Openeye Name: [(1R)-1-methylheptyl] 4-[(2S,4R,5S)-5-decyl-4-methyl-1,3-dioxan-2-yl]benzoate CAS Name: 4-[(2S,4R,5S)-5-decyl-4-methyl-1,3-dioxan-2-yl]benzoic acid [(2R)-octan-2-yl] ester IUPAC Name: [(2R)-octan-2-yl] 4-[(2S,4R,5S)-5-decyl-4-methyl-1,3-dioxan-2-yl]benzoate Traditional Name: 4-[(2S,4R,5S)-5-decyl-4-methyl-1,3-dioxan-2-yl]benzoic acid [(1R)-1-methylheptyl] ester Formula: C30H50O4 MolecularWeight: 474.7156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCC[C@H]1CO[C@@H](O[C@@H]1C)C2=CC=C(C=C2)C(=O)O[C@H](C)CCCCCC

InChI

InChI=1S/C30H50O4/c1-5-7-9-11-12-13-14-16-18-28-23-32-30(34-25(28)4)27-21-19-26(20-22-27)29(31)33-24(3)17-15-10-8-6-2/h19-22,24-25,28,30H,5-18,23H2,1-4H3/t24-,25-,28+,30+/m1/s1