2,2-dibutyl-8-phenyl-1,3-dioxa-7,9-dithia-2-stannacyclododecane-4,12-dione

Systemtic Name: 2,2-dibutyl-8-phenyl-1,3-dioxa-7,9-dithia-2-stannacyclododecane-4,12-dione Openeye Name: 2,2-dibutyl-8-phenyl-1,3-dioxa-7,9-dithia-2-stannacyclododecane-4,12-dione CAS Name: 2,2-dibutyl-8-phenyl-1,3-dioxa-7,9-dithia-2-stannacyclododecane-4,12-dione IUPAC Name: 2,2-dibutyl-8-phenyl-1,3-dioxa-7,9-dithia-2-stannacyclododecane-4,12-dione Traditional Name: 2,2-dibutyl-8-phenyl-1,3-dioxa-7,9-dithia-2-stannacyclododecane-4,12-quinone Formula: C21H32O4S2Sn MolecularWeight: 531.31638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]1(OC(=O)CCSC(SCCC(=O)O1)C2=CC=CC=C2)CCCC

Isomeric SMILES

CCCC[Sn]1(OC(=O)CCSC(SCCC(=O)O1)C2=CC=CC=C2)CCCC

InChI

InChI=1S/C13H16O4S2.2C4H9.Sn/c14-11(15)6-8-18-13(19-9-7-12(16)17)10-4-2-1-3-5-10;2*1-3-4-2;/h1-5,13H,6-9H2,(H,14,15)(H,16,17);2*1,3-4H2,2H3;/q;;;+2/p-2