22-(3,4-dimethoxy-6-methyl-2-oxidanyl-phenyl)-22-oxidanylidene-docosanoic acid

Systemtic Name: 22-(3,4-dimethoxy-6-methyl-2-oxidanyl-phenyl)-22-oxidanylidene-docosanoic acid Openeye Name: 22-(2-hydroxy-3,4-dimethoxy-6-methyl-phenyl)-22-oxo-docosanoic acid CAS Name: 22-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)-22-oxodocosanoic acid IUPAC Name: 22-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)-22-oxodocosanoic acid Traditional Name: 22-(2-hydroxy-3,4-dimethoxy-6-methyl-phenyl)-22-keto-behenic acid Formula: C31H52O6 MolecularWeight: 520.74098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O)O)OC)OC

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O)O)OC)OC

InChI

InChI=1S/C31H52O6/c1-25-24-27(36-2)31(37-3)30(35)29(25)26(32)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-28(33)34/h24,35H,4-23H2,1-3H3,(H,33,34)