[(3S,4E)-2-methoxy-2-(2-methyl-1-phenylmethoxy-propan-2-yl)-4-(2-oxidanylideneethylidene)oxan-3-yl] octanoate

Systemtic Name: [(3S,4E)-2-methoxy-2-(2-methyl-1-phenylmethoxy-propan-2-yl)-4-(2-oxidanylideneethylidene)oxan-3-yl] octanoate Openeye Name: [(3S,4E)-2-(2-benzyloxy-1,1-dimethyl-ethyl)-2-methoxy-4-(2-oxoethylidene)tetrahydropyran-3-yl] octanoate CAS Name: octanoic acid [(3S,4E)-2-methoxy-2-(2-methyl-1-phenylmethoxypropan-2-yl)-4-(2-oxoethylidene)-3-oxanyl] ester IUPAC Name: [(3S,4E)-2-methoxy-2-(2-methyl-1-phenylmethoxypropan-2-yl)-4-(2-oxoethylidene)oxan-3-yl] octanoate Traditional Name: caprylic acid [(3S,4E)-2-(2-benzoxy-1,1-dimethyl-ethyl)-4-(2-ketoethylidene)-2-methoxy-tetrahydropyran-3-yl] ester Formula: C27H40O6 MolecularWeight: 460.6029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1C(=CC=O)CCOC1(C(C)(C)COCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCCC(=O)O[C@H]1/C(=C/C=O)/CCOC1(C(C)(C)COCC2=CC=CC=C2)OC

InChI

InChI=1S/C27H40O6/c1-5-6-7-8-12-15-24(29)33-25-23(16-18-28)17-19-32-27(25,30-4)26(2,3)21-31-20-22-13-10-9-11-14-22/h9-11,13-14,16,18,25H,5-8,12,15,17,19-21H2,1-4H3/b23-16+/t25-,27?/m0/s1