5-(3-octadecoxy-2-phenylmethoxy-propoxy)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(3-octadecoxy-2-phenylmethoxy-propoxy)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-benzyloxy-3-octadecoxy-propoxy)-5-oxo-pentanoic acid CAS Name: 5-(3-octadecoxy-2-phenylmethoxypropoxy)-5-oxopentanoic acid IUPAC Name: 5-(3-octadecoxy-2-phenylmethoxypropoxy)-5-oxopentanoic acid Traditional Name: 5-(2-benzoxy-3-stearyloxy-propoxy)-5-keto-valeric acid Formula: C33H56O6 MolecularWeight: 548.79414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C33H56O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-37-28-31(38-27-30-22-18-17-19-23-30)29-39-33(36)25-21-24-32(34)35/h17-19,22-23,31H,2-16,20-21,24-29H2,1H3,(H,34,35)