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

Systemtic Name: [(3S,4E)-2-methoxy-4-(2-methoxy-2-oxidanylidene-ethylidene)-2-(2-methyl-1-phenylmethoxy-propan-2-yl)oxan-3-yl] octanoate Openeye Name: [(3S,4E)-2-(2-benzyloxy-1,1-dimethyl-ethyl)-2-methoxy-4-(2-methoxy-2-oxo-ethylidene)tetrahydropyran-3-yl] octanoate CAS Name: octanoic acid [(3S,4E)-2-methoxy-4-(2-methoxy-2-oxoethylidene)-2-(2-methyl-1-phenylmethoxypropan-2-yl)-3-oxanyl] ester IUPAC Name: [(3S,4E)-2-methoxy-4-(2-methoxy-2-oxoethylidene)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxan-3-yl] octanoate Traditional Name: caprylic acid [(3S,4E)-2-(2-benzoxy-1,1-dimethyl-ethyl)-4-(2-keto-2-methoxy-ethylidene)-2-methoxy-tetrahydropyran-3-yl] ester Formula: C28H42O7 MolecularWeight: 490.62888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O7/c1-6-7-8-9-13-16-24(29)35-26-23(19-25(30)31-4)17-18-34-28(26,32-5)27(2,3)21-33-20-22-14-11-10-12-15-22/h10-12,14-15,19,26H,6-9,13,16-18,20-21H2,1-5H3/b23-19+/t26-,28?/m0/s1