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

Systemtic Name: [(7S,8S,10S)-8-(oxan-2-yloxy)-7-phenylmethoxycarbonyl-henicosan-10-yl] benzoate Openeye Name: [(1S)-1-[(2S,3S)-3-benzyloxycarbonyl-2-tetrahydropyran-2-yloxy-nonyl]dodecyl] benzoate CAS Name: benzoic acid [(7S,8S,10S)-8-(2-oxanyloxy)-7-phenylmethoxycarbonylheneicosan-10-yl] ester IUPAC Name: [(7S,8S,10S)-8-(oxan-2-yloxy)-7-phenylmethoxycarbonylhenicosan-10-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(2S,3S)-3-carbobenzoxy-2-tetrahydropyran-2-yloxy-nonyl]dodecyl] ester Formula: C41H62O6 MolecularWeight: 650.92738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OCC1=CC=CC=C1)OC2CCCCO2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)OCC1=CC=CC=C1)OC2CCCCO2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C41H62O6/c1-3-5-7-9-10-11-12-13-20-28-36(46-40(42)35-26-18-15-19-27-35)32-38(47-39-30-22-23-31-44-39)37(29-21-8-6-4-2)41(43)45-33-34-24-16-14-17-25-34/h14-19,24-27,36-39H,3-13,20-23,28-33H2,1-2H3/t36-,37-,38-,39?/m0/s1