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sodium 3-octadecoxy-4-(octadecoxymethyl)benzoate

sodium 3-octadecoxy-4-(octadecoxymethyl)benzoate

Systemtic Name:sodium 3-octadecoxy-4-(octadecoxymethyl)benzoate
Openeye Name:sodium 3-octadecoxy-4-(octadecoxymethyl)benzoate
CAS Name:sodium 3-octadecoxy-4-(octadecoxymethyl)benzoate
IUPAC Name:sodium 3-octadecoxy-4-(octadecoxymethyl)benzoate
Traditional Name:sodium 3-stearyloxy-4-(stearyloxymethyl)benzoate
Formula: C44H79NaO4
MolecularWeight: 695.08543
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1=C(C=C(C=C1)C(=O)[O-])OCCCCCCCCCCCCCCCCCC.[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1=C(C=C(C=C1)C(=O)[O-])OCCCCCCCCCCCCCCCCCC.[Na+]


InChI

InChI=1S/C44H80O4.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-47-40-42-36-35-41(44(45)46)39-43(42)48-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36,39H,3-34,37-38,40H2,1-2H3,(H,45,46);/q;+1/p-1


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