3-(3-phenyl-1-thiophen-3-yl-prop-2-ynyl)pentane-2,4-dione

Systemtic Name: 3-(3-phenyl-1-thiophen-3-yl-prop-2-ynyl)pentane-2,4-dione Openeye Name: 3-[3-phenyl-1-(3-thienyl)prop-2-ynyl]pentane-2,4-dione CAS Name: 3-[3-phenyl-1-(3-thiophenyl)prop-2-ynyl]pentane-2,4-dione IUPAC Name: 3-(3-phenyl-1-thiophen-3-ylprop-2-ynyl)pentane-2,4-dione Traditional Name: 3-[3-phenyl-1-(3-thienyl)prop-2-ynyl]pentane-2,4-dione Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C#CC1=CC=CC=C1)C2=CSC=C2)C(=O)C

Isomeric SMILES

CC(=O)C(C(C#CC1=CC=CC=C1)C2=CSC=C2)C(=O)C

InChI

InChI=1S/C18H16O2S/c1-13(19)18(14(2)20)17(16-10-11-21-12-16)9-8-15-6-4-3-5-7-15/h3-7,10-12,17-18H,1-2H3