1-[2-[1-(phenylcarbonyloxy)but-3-ynyl]phenyl]but-3-ynyl benzoate

Systemtic Name: 1-[2-[1-(phenylcarbonyloxy)but-3-ynyl]phenyl]but-3-ynyl benzoate Openeye Name: 1-[2-(1-benzoyloxybut-3-ynyl)phenyl]but-3-ynyl benzoate CAS Name: benzoic acid 1-[2-(1-benzoyloxybut-3-ynyl)phenyl]but-3-ynyl ester IUPAC Name: 1-[2-(1-benzoyloxybut-3-ynyl)phenyl]but-3-ynyl benzoate Traditional Name: benzoic acid 1-[2-(1-benzoyloxybut-3-ynyl)phenyl]but-3-ynyl ester Formula: C28H22O4 MolecularWeight: 422.47188

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC=CC=C1C(CC#C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCC(C1=CC=CC=C1C(CC#C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H22O4/c1-3-13-25(31-27(29)21-15-7-5-8-16-21)23-19-11-12-20-24(23)26(14-4-2)32-28(30)22-17-9-6-10-18-22/h1-2,5-12,15-20,25-26H,13-14H2