1-(2-octadecanoylphenyl)-2,3,4-tris(oxidanyl)docosan-5-one

Systemtic Name: 1-(2-octadecanoylphenyl)-2,3,4-tris(oxidanyl)docosan-5-one Openeye Name: 2,3,4-trihydroxy-1-(2-octadecanoylphenyl)docosan-5-one CAS Name: 2,3,4-trihydroxy-1-[2-(1-oxooctadecyl)phenyl]-5-docosanone IUPAC Name: 2,3,4-trihydroxy-1-(2-octadecanoylphenyl)docosan-5-one Traditional Name: 2,3,4-trihydroxy-1-(2-stearoylphenyl)docosan-5-one Formula: C46H82O5 MolecularWeight: 715.14028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1CC(C(C(C(=O)CCCCCCCCCCCCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1CC(C(C(C(=O)CCCCCCCCCCCCCCCCC)O)O)O

InChI

InChI=1S/C46H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-42(47)41-36-34-33-35-40(41)39-44(49)46(51)45(50)43(48)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,44-46,49-51H,3-32,37-39H2,1-2H3