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

Systemtic Name: 3-oxidanylidenehexan-2-yl 4-(4-heptoxyphenyl)benzoate Openeye Name: (1-methyl-2-oxo-pentyl) 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid 3-oxohexan-2-yl ester IUPAC Name: 3-oxohexan-2-yl 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid (2-keto-1-methyl-pentyl) ester Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCC

InChI

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