pentyl 4-(3,5-dimethylphenyl)-3-methoxy-5-oxidanyl-benzoate

Systemtic Name: pentyl 4-(3,5-dimethylphenyl)-3-methoxy-5-oxidanyl-benzoate Openeye Name: pentyl 4-(3,5-dimethylphenyl)-3-hydroxy-5-methoxy-benzoate CAS Name: 4-(3,5-dimethylphenyl)-3-hydroxy-5-methoxybenzoic acid pentyl ester IUPAC Name: pentyl 4-(3,5-dimethylphenyl)-3-hydroxy-5-methoxybenzoate Traditional Name: 4-(3,5-dimethylphenyl)-3-hydroxy-5-methoxy-benzoic acid amyl ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=C(C(=C1)OC)C2=CC(=CC(=C2)C)C)O

Isomeric SMILES

CCCCCOC(=O)C1=CC(=C(C(=C1)OC)C2=CC(=CC(=C2)C)C)O

InChI

InChI=1S/C21H26O4/c1-5-6-7-8-25-21(23)17-12-18(22)20(19(13-17)24-4)16-10-14(2)9-15(3)11-16/h9-13,22H,5-8H2,1-4H3