(phenylmethyl) 5-[2-ethoxy-4-(2-methyl-6-oxidanylidene-6-phenylmethoxy-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate

Systemtic Name: (phenylmethyl) 5-[2-ethoxy-4-(2-methyl-6-oxidanylidene-6-phenylmethoxy-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: benzyl 5-[4-(5-benzyloxy-1,1-dimethyl-5-oxo-pentyl)-2-ethoxy-5-hydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2-ethoxy-5-hydroxy-4-(2-methyl-6-oxo-6-phenylmethoxyhexan-2-yl)phenyl]-5-methylhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[2-ethoxy-5-hydroxy-4-(2-methyl-6-oxo-6-phenylmethoxyhexan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[4-(5-benzoxy-5-keto-1,1-dimethyl-pentyl)-2-ethoxy-5-hydroxy-phenyl]-5-methyl-hexanoic acid benzyl ester Formula: C36H46O6 MolecularWeight: 574.74684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(C)(C)CCCC(=O)OCC2=CC=CC=C2)O)C(C)(C)CCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C=C1C(C)(C)CCCC(=O)OCC2=CC=CC=C2)O)C(C)(C)CCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C36H46O6/c1-6-40-32-24-29(35(2,3)21-13-19-33(38)41-25-27-15-9-7-10-16-27)31(37)23-30(32)36(4,5)22-14-20-34(39)42-26-28-17-11-8-12-18-28/h7-12,15-18,23-24,37H,6,13-14,19-22,25-26H2,1-5H3