4-[(4-hexanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[(4-hexanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(4-hexanoyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3-hydroxy-4-(1-oxohexyl)-2-propylphenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(4-hexanoyl-3-hydroxy-2-propylphenoxy)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(4-caproyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-methoxy-benzoic acid Formula: C24H30O6 MolecularWeight: 414.4914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)CCC)O

Isomeric SMILES

CCCCCC(=O)C1=C(C(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)CCC)O

InChI

InChI=1S/C24H30O6/c1-4-6-7-9-20(25)18-12-13-21(19(8-5-2)23(18)26)30-15-17-11-10-16(24(27)28)14-22(17)29-3/h10-14,26H,4-9,15H2,1-3H3,(H,27,28)