13-[3-methyl-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]tridecanoic acid

Systemtic Name: 13-[3-methyl-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]tridecanoic acid Openeye Name: 13-[2-(4-hydroxy-4-oxo-butoxy)-3-methyl-phenoxy]tridecanoic acid CAS Name: 13-[2-(4-hydroxy-4-oxobutoxy)-3-methylphenoxy]tridecanoic acid IUPAC Name: 13-[2-(4-hydroxy-4-oxobutoxy)-3-methylphenoxy]tridecanoic acid Traditional Name: 13-[2-(4-hydroxy-4-keto-butoxy)-3-methyl-phenoxy]tridecanoic acid Formula: C24H38O6 MolecularWeight: 422.55492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCCCCCCCCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCCCCCCCCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C24H38O6/c1-20-14-12-15-21(24(20)30-19-13-17-23(27)28)29-18-11-9-7-5-3-2-4-6-8-10-16-22(25)26/h12,14-15H,2-11,13,16-19H2,1H3,(H,25,26)(H,27,28)