6,7-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]quinoline-5,8-dione

Systemtic Name: 6,7-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]quinoline-5,8-dione Openeye Name: 6,7-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]quinoline-5,8-dione CAS Name: 6,7-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methylthio]quinoline-5,8-dione IUPAC Name: 6,7-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]quinoline-5,8-dione Traditional Name: 6,7-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methylthio]quinoline-5,8-quinone Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CSC2=C(C(=O)C3=C(C2=O)C=CC=N3)SCC4COC(O4)(C)C)C

Isomeric SMILES

CC1(OCC(O1)CSC2=C(C(=O)C3=C(C2=O)C=CC=N3)SCC4COC(O4)(C)C)C

InChI

InChI=1S/C21H25NO6S2/c1-20(2)25-8-12(27-20)10-29-18-16(23)14-6-5-7-22-15(14)17(24)19(18)30-11-13-9-26-21(3,4)28-13/h5-7,12-13H,8-11H2,1-4H3