2-docosyl-3,4,5-tris(oxidanyl)benzoic acid

Systemtic Name: 2-docosyl-3,4,5-tris(oxidanyl)benzoic acid Openeye Name: 2-docosyl-3,4,5-trihydroxy-benzoic acid CAS Name: 2-docosyl-3,4,5-trihydroxybenzoic acid IUPAC Name: 2-docosyl-3,4,5-trihydroxybenzoic acid Traditional Name: 2-behenyl-3,4,5-trihydroxy-benzoic acid Formula: C29H50O5 MolecularWeight: 478.7043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)O)O)O)O

InChI

InChI=1S/C29H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(29(33)34)23-26(30)28(32)27(24)31/h23,30-32H,2-22H2,1H3,(H,33,34)