bis(phenylmethyl) (3R)-3-methylhexadecanedioate

Systemtic Name: bis(phenylmethyl) (3R)-3-methylhexadecanedioate Openeye Name: dibenzyl (3R)-3-methylhexadecanedioate CAS Name: (3R)-3-methylhexadecanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (3R)-3-methylhexadecanedioate Traditional Name: (3R)-3-methylthapsic acid dibenzyl ester Formula: C31H44O4 MolecularWeight: 480.67866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCC(=O)OCC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H](CCCCCCCCCCCCC(=O)OCC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C31H44O4/c1-27(24-31(33)35-26-29-21-15-11-16-22-29)18-12-8-6-4-2-3-5-7-9-17-23-30(32)34-25-28-19-13-10-14-20-28/h10-11,13-16,19-22,27H,2-9,12,17-18,23-26H2,1H3/t27-/m1/s1