methyl (E,4S,5S,6R)-4-acetyloxy-5,7,7-trimethyl-6-phenylmethoxy-oct-2-enoate

Systemtic Name: methyl (E,4S,5S,6R)-4-acetyloxy-5,7,7-trimethyl-6-phenylmethoxy-oct-2-enoate Openeye Name: methyl (E,4S,5S,6R)-4-acetoxy-6-benzyloxy-5,7,7-trimethyl-oct-2-enoate CAS Name: (E,4S,5S,6R)-4-acetyloxy-5,7,7-trimethyl-6-phenylmethoxy-2-octenoic acid methyl ester IUPAC Name: methyl (E,4S,5S,6R)-4-acetyloxy-5,7,7-trimethyl-6-phenylmethoxyoct-2-enoate Traditional Name: (E,4S,5S,6R)-4-acetoxy-6-benzoxy-5,7,7-trimethyl-oct-2-enoic acid methyl ester Formula: C21H30O5 MolecularWeight: 362.4599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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