1-octadecoxyoctadecane; propane-1,2-diol; benzoate

Systemtic Name: 1-octadecoxyoctadecane; propane-1,2-diol; benzoate Openeye Name: 1-octadecoxyoctadecane; propane-1,2-diol; benzoate CAS Name: 1-octadecoxyoctadecane; propane-1,2-diol; benzoate IUPAC Name: 1-octadecoxyoctadecane; propane-1,2-diol; benzoate Traditional Name: propane-1,2-diol; 1-stearyloxyoctadecane; benzoate Formula: C46H87O5- MolecularWeight: 720.17998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CC(CO)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CC(CO)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C36H74O.C7H6O2.C3H8O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-7(9)6-4-2-1-3-5-6;1-3(5)2-4/h3-36H2,1-2H3;1-5H,(H,8,9);3-5H,2H2,1H3/p-1