[(2S,3R,7R,11R)-3,7,11-trimethyltridecan-2-yl] benzoate

Systemtic Name: [(2S,3R,7R,11R)-3,7,11-trimethyltridecan-2-yl] benzoate Openeye Name: [(1S,2R,6R,10R)-1,2,6,10-tetramethyldodecyl] benzoate CAS Name: benzoic acid [(2S,3R,7R,11R)-3,7,11-trimethyltridecan-2-yl] ester IUPAC Name: [(2S,3R,7R,11R)-3,7,11-trimethyltridecan-2-yl] benzoate Traditional Name: benzoic acid [(1S,2R,6R,10R)-1,2,6,10-tetramethyldodecyl] ester Formula: C23H38O2 MolecularWeight: 346.54662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC(C)CCCC(C)C(C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@H](C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C23H38O2/c1-6-18(2)12-10-13-19(3)14-11-15-20(4)21(5)25-23(24)22-16-8-7-9-17-22/h7-9,16-21H,6,10-15H2,1-5H3/t18-,19-,20-,21+/m1/s1