3-phenyl-1-thiophen-2-yl-heptane-1,4-dione

Systemtic Name: 3-phenyl-1-thiophen-2-yl-heptane-1,4-dione Openeye Name: 3-phenyl-1-(2-thienyl)heptane-1,4-dione CAS Name: 3-phenyl-1-thiophen-2-ylheptane-1,4-dione IUPAC Name: 3-phenyl-1-thiophen-2-ylheptane-1,4-dione Traditional Name: 3-phenyl-1-(2-thienyl)heptane-1,4-dione Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC(=O)C1=CC=CS1)C2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C(CC(=O)C1=CC=CS1)C2=CC=CC=C2

InChI

InChI=1S/C17H18O2S/c1-2-7-15(18)14(13-8-4-3-5-9-13)12-16(19)17-10-6-11-20-17/h3-6,8-11,14H,2,7,12H2,1H3