methyl (E,2R,5S,6R)-2-acetyloxy-5,7,7-trimethyl-6-phenylmethoxy-oct-3-enoate

Systemtic Name: methyl (E,2R,5S,6R)-2-acetyloxy-5,7,7-trimethyl-6-phenylmethoxy-oct-3-enoate Openeye Name: methyl (E,2R,5S,6R)-2-acetoxy-6-benzyloxy-5,7,7-trimethyl-oct-3-enoate CAS Name: (E,2R,5S,6R)-2-acetyloxy-5,7,7-trimethyl-6-phenylmethoxy-3-octenoic acid methyl ester IUPAC Name: methyl (E,2R,5S,6R)-2-acetyloxy-5,7,7-trimethyl-6-phenylmethoxyoct-3-enoate Traditional Name: (E,2R,5S,6R)-2-acetoxy-6-benzoxy-5,7,7-trimethyl-oct-3-enoic acid methyl ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(C(=O)OC)OC(=O)C)C(C(C)(C)C)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](/C=C/[C@H](C(=O)OC)OC(=O)C)[C@H](C(C)(C)C)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30O5/c1-15(12-13-18(20(23)24-6)26-16(2)22)19(21(3,4)5)25-14-17-10-8-7-9-11-17/h7-13,15,18-19H,14H2,1-6H3/b13-12+/t15-,18+,19+/m0/s1