methyl 5-oct-2-ynyl-2-oxidanylidene-5-phenyl-furan-3-carboxylate

Systemtic Name: methyl 5-oct-2-ynyl-2-oxidanylidene-5-phenyl-furan-3-carboxylate Openeye Name: methyl 5-oct-2-ynyl-2-oxo-5-phenyl-furan-3-carboxylate CAS Name: 5-oct-2-ynyl-2-oxo-5-phenyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-oct-2-ynyl-2-oxo-5-phenylfuran-3-carboxylate Traditional Name: 2-keto-5-oct-2-ynyl-5-phenyl-furan-3-carboxylic acid methyl ester Formula: C20H22O4 MolecularWeight: 326.38628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC1(C=C(C(=O)O1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCCCCC#CCC1(C=C(C(=O)O1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C20H22O4/c1-3-4-5-6-7-11-14-20(16-12-9-8-10-13-16)15-17(18(21)23-2)19(22)24-20/h8-10,12-13,15H,3-6,14H2,1-2H3