16-methylheptadecanoic acid; (2S,3R,4S)-pentane-1,1,2,3,4,5-hexol

Systemtic Name: 16-methylheptadecanoic acid; (2S,3R,4S)-pentane-1,1,2,3,4,5-hexol Openeye Name: 16-methylheptadecanoic acid; (2S,3R,4S)-pentane-1,1,2,3,4,5-hexol CAS Name: 16-methylheptadecanoic acid; (2S,3R,4S)-pentane-1,1,2,3,4,5-hexol IUPAC Name: 16-methylheptadecanoic acid; (2S,3R,4S)-pentane-1,1,2,3,4,5-hexol Traditional Name: 16-methylheptadecanoic acid; (2S,3R,4S)-pentane-1,1,2,3,4,5-hexol Formula: C23H48O8 MolecularWeight: 452.62242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)O.C(C(C(C(C(O)O)O)O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)O.C([C@@H]([C@H]([C@@H](C(O)O)O)O)O)O

InChI

InChI=1S/C18H36O2.C5H12O6/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;6-1-2(7)3(8)4(9)5(10)11/h17H,3-16H2,1-2H3,(H,19,20);2-11H,1H2/t;2-,3+,4-/m.0/s1