(13R,14S,15S,16R)-13,16-bis(phenylmethoxy)octacosane-14,15-diol

Systemtic Name: (13R,14S,15S,16R)-13,16-bis(phenylmethoxy)octacosane-14,15-diol Openeye Name: (13R,14S,15S,16R)-13,16-dibenzyloxyoctacosane-14,15-diol CAS Name: (13R,14S,15S,16R)-13,16-bis(phenylmethoxy)octacosane-14,15-diol IUPAC Name: (13R,14S,15S,16R)-13,16-bis(phenylmethoxy)octacosane-14,15-diol Traditional Name: (13R,14S,15S,16R)-13,16-dibenzoxyoctacosane-14,15-diol Formula: C42H70O4 MolecularWeight: 639.0028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C(C(CCCCCCCCCCCC)OCC1=CC=CC=C1)O)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC[C@H]([C@H]([C@@H]([C@@H](CCCCCCCCCCCC)OCC1=CC=CC=C1)O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C42H70O4/c1-3-5-7-9-11-13-15-17-19-27-33-39(45-35-37-29-23-21-24-30-37)41(43)42(44)40(46-36-38-31-25-22-26-32-38)34-28-20-18-16-14-12-10-8-6-4-2/h21-26,29-32,39-44H,3-20,27-28,33-36H2,1-2H3/t39-,40-,41-,42-/m1/s1