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

Systemtic Name: [(3S,4E)-2-methoxy-2-(2-methyl-1-phenylmethoxy-propan-2-yl)-4-prop-2-enylidene-oxan-3-yl] octanoate Openeye Name: [(3S,4E)-4-allylidene-2-(2-benzyloxy-1,1-dimethyl-ethyl)-2-methoxy-tetrahydropyran-3-yl] octanoate CAS Name: octanoic acid [(3S,4E)-2-methoxy-2-(2-methyl-1-phenylmethoxypropan-2-yl)-4-prop-2-enylidene-3-oxanyl] ester IUPAC Name: [(3S,4E)-2-methoxy-2-(2-methyl-1-phenylmethoxypropan-2-yl)-4-prop-2-enylideneoxan-3-yl] octanoate Traditional Name: caprylic acid [(3S,4E)-4-allylidene-2-(2-benzoxy-1,1-dimethyl-ethyl)-2-methoxy-tetrahydropyran-3-yl] ester Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O5/c1-6-8-9-10-14-18-25(29)33-26-24(15-7-2)19-20-32-28(26,30-5)27(3,4)22-31-21-23-16-12-11-13-17-23/h7,11-13,15-17,26H,2,6,8-10,14,18-22H2,1,3-5H3/b24-15+/t26-,28?/m0/s1