(2-hexoxyphenyl) 4-[8-(oxiran-2-yl)octoxy]benzoate

Systemtic Name: (2-hexoxyphenyl) 4-[8-(oxiran-2-yl)octoxy]benzoate Openeye Name: (2-hexoxyphenyl) 4-[8-(oxiran-2-yl)octoxy]benzoate CAS Name: 4-[8-(2-oxiranyl)octoxy]benzoic acid (2-hexoxyphenyl) ester IUPAC Name: (2-hexoxyphenyl) 4-[8-(oxiran-2-yl)octoxy]benzoate Traditional Name: 4-[8-(oxiran-2-yl)octoxy]benzoic acid (2-hexoxyphenyl) ester Formula: C29H40O5 MolecularWeight: 468.6249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OCCCCCCCCC3CO3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OCCCCCCCCC3CO3

InChI

InChI=1S/C29H40O5/c1-2-3-4-12-22-32-27-15-10-11-16-28(27)34-29(30)24-17-19-25(20-18-24)31-21-13-8-6-5-7-9-14-26-23-33-26/h10-11,15-20,26H,2-9,12-14,21-23H2,1H3