4,4-bis(phenylsulfanyl)heptane-3,5-dione

Systemtic Name: 4,4-bis(phenylsulfanyl)heptane-3,5-dione Openeye Name: 4,4-bis(phenylsulfanyl)heptane-3,5-dione CAS Name: 4,4-bis(phenylthio)heptane-3,5-dione IUPAC Name: 4,4-bis(phenylsulfanyl)heptane-3,5-dione Traditional Name: 4,4-bis(phenylthio)heptane-3,5-dione Formula: C19H20O2S2 MolecularWeight: 344.4909

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)CC)(SC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCC(=O)C(C(=O)CC)(SC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C19H20O2S2/c1-3-17(20)19(18(21)4-2,22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3