diethyl 3-ethynyl-4-phenyl-benzene-1,2-dicarboxylate

Systemtic Name: diethyl 3-ethynyl-4-phenyl-benzene-1,2-dicarboxylate Openeye Name: diethyl 3-ethynyl-4-phenyl-benzene-1,2-dicarboxylate CAS Name: 3-ethynyl-4-phenylbenzene-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-ethynyl-4-phenylbenzene-1,2-dicarboxylate Traditional Name: 3-ethynyl-4-phenyl-benzene-1,2-dicarboxylic acid diethyl ester Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)C#C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)C#C)C(=O)OCC

InChI

InChI=1S/C20H18O4/c1-4-15-16(14-10-8-7-9-11-14)12-13-17(19(21)23-5-2)18(15)20(22)24-6-3/h1,7-13H,5-6H2,2-3H3