2-octadecyl-3,4-bis(oxidanyl)benzoic acid

Systemtic Name: 2-octadecyl-3,4-bis(oxidanyl)benzoic acid Openeye Name: 3,4-dihydroxy-2-octadecyl-benzoic acid CAS Name: 3,4-dihydroxy-2-octadecylbenzoic acid IUPAC Name: 3,4-dihydroxy-2-octadecylbenzoic acid Traditional Name: 3,4-dihydroxy-2-stearyl-benzoic acid Formula: C25H42O4 MolecularWeight: 406.59858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1O)O)C(=O)O

InChI

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