4-[(4-decanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]benzaldehyde

Systemtic Name: 4-[(4-decanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]benzaldehyde Openeye Name: 4-[(4-decanoyl-3-hydroxy-2-propyl-phenoxy)methyl]benzaldehyde CAS Name: 4-[[3-hydroxy-4-(1-oxodecyl)-2-propylphenoxy]methyl]benzaldehyde IUPAC Name: 4-[(4-decanoyl-3-hydroxy-2-propylphenoxy)methyl]benzaldehyde Traditional Name: 4-[(4-capryl-3-hydroxy-2-propyl-phenoxy)methyl]benzaldehyde Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=C(C(=C(C=C1)OCC2=CC=C(C=C2)C=O)CCC)O

Isomeric SMILES

CCCCCCCCCC(=O)C1=C(C(=C(C=C1)OCC2=CC=C(C=C2)C=O)CCC)O

InChI

InChI=1S/C27H36O4/c1-3-5-6-7-8-9-10-12-25(29)23-17-18-26(24(11-4-2)27(23)30)31-20-22-15-13-21(19-28)14-16-22/h13-19,30H,3-12,20H2,1-2H3