4-(1-oxidanyl-1-oxidanylidene-2-phenoxy-dodecan-4-yl)oxy-2-phenoxy-dodecanoic acid

Systemtic Name: 4-(1-oxidanyl-1-oxidanylidene-2-phenoxy-dodecan-4-yl)oxy-2-phenoxy-dodecanoic acid Openeye Name: 4-[1-(3-hydroxy-3-oxo-2-phenoxy-propyl)nonoxy]-2-phenoxy-dodecanoic acid CAS Name: 4-(1-hydroxy-1-oxo-2-phenoxydodecan-4-yl)oxy-2-phenoxydodecanoic acid IUPAC Name: 4-(1-hydroxy-1-oxo-2-phenoxydodecan-4-yl)oxy-2-phenoxydodecanoic acid Traditional Name: 4-[1-(3-hydroxy-3-keto-2-phenoxy-propyl)nonoxy]-2-phenoxy-lauric acid Formula: C36H54O7 MolecularWeight: 598.80976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(C(=O)O)OC1=CC=CC=C1)OC(CCCCCCCC)CC(C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(CC(C(=O)O)OC1=CC=CC=C1)OC(CCCCCCCC)CC(C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C36H54O7/c1-3-5-7-9-11-15-25-31(27-33(35(37)38)42-29-21-17-13-18-22-29)41-32(26-16-12-10-8-6-4-2)28-34(36(39)40)43-30-23-19-14-20-24-30/h13-14,17-24,31-34H,3-12,15-16,25-28H2,1-2H3,(H,37,38)(H,39,40)