6-cyclopentyl-3-phenylsulfanyl-6-prop-2-ynyl-oxane-2,4-dione

Systemtic Name: 6-cyclopentyl-3-phenylsulfanyl-6-prop-2-ynyl-oxane-2,4-dione Openeye Name: 6-cyclopentyl-3-phenylsulfanyl-6-prop-2-ynyl-tetrahydropyran-2,4-dione CAS Name: 6-cyclopentyl-3-(phenylthio)-6-prop-2-ynyloxane-2,4-dione IUPAC Name: 6-cyclopentyl-3-phenylsulfanyl-6-prop-2-ynyloxane-2,4-dione Traditional Name: 6-cyclopentyl-3-(phenylthio)-6-propargyl-tetrahydropyran-2,4-quinone Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1(CC(=O)C(C(=O)O1)SC2=CC=CC=C2)C3CCCC3

Isomeric SMILES

C#CCC1(CC(=O)C(C(=O)O1)SC2=CC=CC=C2)C3CCCC3

InChI

InChI=1S/C19H20O3S/c1-2-12-19(14-8-6-7-9-14)13-16(20)17(18(21)22-19)23-15-10-4-3-5-11-15/h1,3-5,10-11,14,17H,6-9,12-13H2