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

Systemtic Name: dimethyl 3-ethynyl-4-phenyl-benzene-1,2-dicarboxylate Openeye Name: dimethyl 3-ethynyl-4-phenyl-benzene-1,2-dicarboxylate CAS Name: 3-ethynyl-4-phenylbenzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-ethynyl-4-phenylbenzene-1,2-dicarboxylate Traditional Name: 3-ethynyl-4-phenyl-benzene-1,2-dicarboxylic acid dimethyl ester Formula: C18H14O4 MolecularWeight: 294.30136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)C#C)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)C#C)C(=O)OC

InChI

InChI=1S/C18H14O4/c1-4-13-14(12-8-6-5-7-9-12)10-11-15(17(19)21-2)16(13)18(20)22-3/h1,5-11H,2-3H3