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

Systemtic Name: 3-oxidanylideneheptan-2-yl 4-(4-hexoxyphenyl)benzoate Openeye Name: (1-methyl-2-oxo-hexyl) 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid 3-oxoheptan-2-yl ester IUPAC Name: 3-oxoheptan-2-yl 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid (2-keto-1-methyl-hexyl) ester Formula: C26H34O4 MolecularWeight: 410.54576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O4/c1-4-6-8-9-19-29-24-17-15-22(16-18-24)21-11-13-23(14-12-21)26(28)30-20(3)25(27)10-7-5-2/h11-18,20H,4-10,19H2,1-3H3