(2-methoxy-3-methyl-pentyl) 4-(4-nonanoyloxyphenyl)benzoate

Systemtic Name: (2-methoxy-3-methyl-pentyl) 4-(4-nonanoyloxyphenyl)benzoate Openeye Name: (2-methoxy-3-methyl-pentyl) 4-(4-nonanoyloxyphenyl)benzoate CAS Name: 4-[4-(1-oxononoxy)phenyl]benzoic acid (2-methoxy-3-methylpentyl) ester IUPAC Name: (2-methoxy-3-methylpentyl) 4-(4-nonanoyloxyphenyl)benzoate Traditional Name: 4-(4-pelargonyloxyphenyl)benzoic acid (2-methoxy-3-methyl-pentyl) ester Formula: C29H40O5 MolecularWeight: 468.6249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C(C)CC)OC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C(C)CC)OC

InChI

InChI=1S/C29H40O5/c1-5-7-8-9-10-11-12-28(30)34-26-19-17-24(18-20-26)23-13-15-25(16-14-23)29(31)33-21-27(32-4)22(3)6-2/h13-20,22,27H,5-12,21H2,1-4H3