octadecyl 3-octadecoxy-4-(octadecoxymethyl)benzoate

Systemtic Name: octadecyl 3-octadecoxy-4-(octadecoxymethyl)benzoate Openeye Name: octadecyl 3-octadecoxy-4-(octadecoxymethyl)benzoate CAS Name: 3-octadecoxy-4-(octadecoxymethyl)benzoic acid octadecyl ester IUPAC Name: octadecyl 3-octadecoxy-4-(octadecoxymethyl)benzoate Traditional Name: 3-stearyloxy-4-(stearyloxymethyl)benzoic acid stearyl ester Formula: C62H116O4 MolecularWeight: 925.58204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C62H116O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-54-64-58-60-53-52-59(62(63)66-56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)57-61(60)65-55-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h52-53,57H,4-51,54-56,58H2,1-3H3