(1-butoxy-1-oxidanylidene-propan-2-yl) 4-[4-[9-(oxiran-2-yl)nonoxy]phenyl]benzoate

Systemtic Name: (1-butoxy-1-oxidanylidene-propan-2-yl) 4-[4-[9-(oxiran-2-yl)nonoxy]phenyl]benzoate Openeye Name: (2-butoxy-1-methyl-2-oxo-ethyl) 4-[4-[9-(oxiran-2-yl)nonoxy]phenyl]benzoate CAS Name: 4-[4-[9-(2-oxiranyl)nonoxy]phenyl]benzoic acid (1-butoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-butoxy-1-oxopropan-2-yl) 4-[4-[9-(oxiran-2-yl)nonoxy]phenyl]benzoate Traditional Name: 4-[4-[9-(oxiran-2-yl)nonoxy]phenyl]benzoic acid (2-butoxy-2-keto-1-methyl-ethyl) ester Formula: C31H42O6 MolecularWeight: 510.66158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCCC3CO3

Isomeric SMILES

CCCCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCCC3CO3

InChI

InChI=1S/C31H42O6/c1-3-4-21-35-30(32)24(2)37-31(33)27-15-13-25(14-16-27)26-17-19-28(20-18-26)34-22-11-9-7-5-6-8-10-12-29-23-36-29/h13-20,24,29H,3-12,21-23H2,1-2H3