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3-octadecoxy-4-(octadecoxymethyl)benzoic acid

3-octadecoxy-4-(octadecoxymethyl)benzoic acid

Systemtic Name:3-octadecoxy-4-(octadecoxymethyl)benzoic acid
Openeye Name:3-octadecoxy-4-(octadecoxymethyl)benzoic acid
CAS Name:3-octadecoxy-4-(octadecoxymethyl)benzoic acid
IUPAC Name:3-octadecoxy-4-(octadecoxymethyl)benzoic acid
Traditional Name:3-stearyloxy-4-(stearyloxymethyl)benzoic acid
Formula: C44H80O4
MolecularWeight: 673.1036
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1=C(C=C(C=C1)C(=O)O)OCCCCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1=C(C=C(C=C1)C(=O)O)OCCCCCCCCCCCCCCCCCC


InChI

InChI=1S/C44H80O4/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)


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