[4-[4-(2-methylbutoxy)phenoxy]carbonylphenyl] 4-prop-1-ynylbenzoate

Systemtic Name: [4-[4-(2-methylbutoxy)phenoxy]carbonylphenyl] 4-prop-1-ynylbenzoate Openeye Name: [4-[4-(2-methylbutoxy)phenoxy]carbonylphenyl] 4-prop-1-ynylbenzoate CAS Name: 4-prop-1-ynylbenzoic acid [4-[[4-(2-methylbutoxy)phenoxy]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutoxy)phenoxy]carbonylphenyl] 4-prop-1-ynylbenzoate Traditional Name: 4-prop-1-ynylbenzoic acid [4-[4-(2-methylbutoxy)phenoxy]carbonylphenyl] ester Formula: C28H26O5 MolecularWeight: 442.50304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#CC

Isomeric SMILES

CCC(C)COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#CC

InChI

InChI=1S/C28H26O5/c1-4-6-21-7-9-22(10-8-21)27(29)32-25-13-11-23(12-14-25)28(30)33-26-17-15-24(16-18-26)31-19-20(3)5-2/h7-18,20H,5,19H2,1-3H3