[(7S,8S,10R)-7-methoxycarbonyl-10-(oxan-2-yloxy)henicosan-8-yl] benzoate

Systemtic Name: [(7S,8S,10R)-7-methoxycarbonyl-10-(oxan-2-yloxy)henicosan-8-yl] benzoate Openeye Name: [(1S,3R)-1-[(1S)-1-methoxycarbonylheptyl]-3-tetrahydropyran-2-yloxy-tetradecyl] benzoate CAS Name: benzoic acid [(7S,8S,10R)-7-methoxycarbonyl-10-(2-oxanyloxy)heneicosan-8-yl] ester IUPAC Name: [(7S,8S,10R)-7-methoxycarbonyl-10-(oxan-2-yloxy)henicosan-8-yl] benzoate Traditional Name: benzoic acid [(1S,3R)-1-[(1S)-1-carbomethoxyheptyl]-3-tetrahydropyran-2-yloxy-tetradecyl] ester Formula: C35H58O6 MolecularWeight: 574.83142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OC)OC(=O)C1=CC=CC=C1)OC2CCCCO2

Isomeric SMILES

CCCCCCCCCCC[C@H](C[C@@H]([C@H](CCCCCC)C(=O)OC)OC(=O)C1=CC=CC=C1)OC2CCCCO2

InChI

InChI=1S/C35H58O6/c1-4-6-8-10-11-12-13-14-18-24-30(40-33-26-20-21-27-39-33)28-32(41-34(36)29-22-16-15-17-23-29)31(35(37)38-3)25-19-9-7-5-2/h15-17,22-23,30-33H,4-14,18-21,24-28H2,1-3H3/t30-,31+,32+,33?/m1/s1