3-oxidanylidenehexan-2-yl 4-(4-hexoxyphenyl)benzoate

Systemtic Name: 3-oxidanylidenehexan-2-yl 4-(4-hexoxyphenyl)benzoate Openeye Name: (1-methyl-2-oxo-pentyl) 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid 3-oxohexan-2-yl ester IUPAC Name: 3-oxohexan-2-yl 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid (2-keto-1-methyl-pentyl) ester Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCC

InChI

InChI=1S/C25H32O4/c1-4-6-7-8-18-28-23-16-14-21(15-17-23)20-10-12-22(13-11-20)25(27)29-19(3)24(26)9-5-2/h10-17,19H,4-9,18H2,1-3H3