2-[3,4-bis(oxidanyl)phenyl]ethyl octadecanoate

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]ethyl octadecanoate Openeye Name: 2-(3,4-dihydroxyphenyl)ethyl octadecanoate CAS Name: octadecanoic acid 2-(3,4-dihydroxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dihydroxyphenyl)ethyl octadecanoate Traditional Name: stearic acid 2-(3,4-dihydroxyphenyl)ethyl ester Formula: C26H44O4 MolecularWeight: 420.62516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)30-21-20-23-18-19-24(27)25(28)22-23/h18-19,22,27-28H,2-17,20-21H2,1H3