[(2R,3R,4R)-4-methanoyl-3-methanoyloxy-2-(4-methylphenyl)carbonyloxy-4-phenylmethoxy-hex-5-enyl] 4-methylbenzoate

Systemtic Name: [(2R,3R,4R)-4-methanoyl-3-methanoyloxy-2-(4-methylphenyl)carbonyloxy-4-phenylmethoxy-hex-5-enyl] 4-methylbenzoate Openeye Name: [(2R,3R,4R)-4-benzyloxy-4-formyl-3-formyloxy-2-(4-methylbenzoyl)oxy-hex-5-enyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4R)-4-formyl-3-formyloxy-2-[(4-methylphenyl)-oxomethoxy]-4-phenylmethoxyhex-5-enyl] ester IUPAC Name: [(2R,3R,4R)-4-formyl-3-formyloxy-2-(4-methylbenzoyl)oxy-4-phenylmethoxyhex-5-enyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4R)-4-benzoxy-4-formyl-3-formyloxy-2-p-toluoyloxy-hex-5-enyl] ester Formula: C31H30O8 MolecularWeight: 530.5651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(C(C(C=C)(C=O)OCC2=CC=CC=C2)OC=O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@H]([C@H]([C@](C=C)(C=O)OCC2=CC=CC=C2)OC=O)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H30O8/c1-4-31(20-32,38-18-24-8-6-5-7-9-24)28(37-21-33)27(39-30(35)26-16-12-23(3)13-17-26)19-36-29(34)25-14-10-22(2)11-15-25/h4-17,20-21,27-28H,1,18-19H2,2-3H3/t27-,28-,31+/m1/s1