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

Systemtic Name: 3-oxidanylideneheptan-2-yl 4-(4-heptoxyphenyl)benzoate Openeye Name: (1-methyl-2-oxo-hexyl) 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid 3-oxoheptan-2-yl ester IUPAC Name: 3-oxoheptan-2-yl 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid (2-keto-1-methyl-hexyl) ester Formula: C27H36O4 MolecularWeight: 424.57234

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4/c1-4-6-8-9-10-20-30-25-18-16-23(17-19-25)22-12-14-24(15-13-22)27(29)31-21(3)26(28)11-7-5-2/h12-19,21H,4-11,20H2,1-3H3