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

Systemtic Name: [(7S,8S,10R)-7-ethoxycarbonyl-10-(oxan-2-yloxy)henicosan-8-yl] benzoate Openeye Name: [(1S,3R)-1-[(1S)-1-ethoxycarbonylheptyl]-3-tetrahydropyran-2-yloxy-tetradecyl] benzoate CAS Name: benzoic acid [(7S,8S,10R)-7-ethoxycarbonyl-10-(2-oxanyloxy)heneicosan-8-yl] ester IUPAC Name: [(7S,8S,10R)-7-ethoxycarbonyl-10-(oxan-2-yloxy)henicosan-8-yl] benzoate Traditional Name: benzoic acid [(1S,3R)-1-[(1S)-1-carbethoxyheptyl]-3-tetrahydropyran-2-yloxy-tetradecyl] ester Formula: C36H60O6 MolecularWeight: 588.858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H60O6/c1-4-7-9-11-12-13-14-15-19-25-31(41-34-27-21-22-28-40-34)29-33(42-35(37)30-23-17-16-18-24-30)32(36(38)39-6-3)26-20-10-8-5-2/h16-18,23-24,31-34H,4-15,19-22,25-29H2,1-3H3/t31-,32+,33+,34?/m1/s1