4-(1-oxidanylideneisochromen-3-yl)but-2-ynyl 3-methylbutanoate

Systemtic Name: 4-(1-oxidanylideneisochromen-3-yl)but-2-ynyl 3-methylbutanoate Openeye Name: 4-(1-oxoisochromen-3-yl)but-2-ynyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 4-(1-oxo-2-benzopyran-3-yl)but-2-ynyl ester IUPAC Name: 4-(1-oxoisochromen-3-yl)but-2-ynyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 4-(1-ketoisochromen-3-yl)but-2-ynyl ester Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCC#CCC1=CC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC(C)CC(=O)OCC#CCC1=CC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C18H18O4/c1-13(2)11-17(19)21-10-6-5-8-15-12-14-7-3-4-9-16(14)18(20)22-15/h3-4,7,9,12-13H,8,10-11H2,1-2H3