1-[5-methyl-2,3,4-tris(oxidanyl)phenyl]octadecan-1-one

Systemtic Name: 1-[5-methyl-2,3,4-tris(oxidanyl)phenyl]octadecan-1-one Openeye Name: 1-(2,3,4-trihydroxy-5-methyl-phenyl)octadecan-1-one CAS Name: 1-(2,3,4-trihydroxy-5-methylphenyl)-1-octadecanone IUPAC Name: 1-(2,3,4-trihydroxy-5-methylphenyl)octadecan-1-one Traditional Name: 1-(2,3,4-trihydroxy-5-methyl-phenyl)octadecan-1-one Formula: C25H42O4 MolecularWeight: 406.59858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C(=C1O)O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C(=C1O)O)O)C

InChI

InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)21-19-20(2)23(27)25(29)24(21)28/h19,27-29H,3-18H2,1-2H3