calcium 2,6-ditert-butyl-4-(5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: calcium 2,6-ditert-butyl-4-(5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: calcium 2,6-ditert-butyl-4-(5-thioxo-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: calcium 2,6-ditert-butyl-4-(5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: calcium 2,6-ditert-butyl-4-(5-sulfanylidene-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: calcium 2,6-ditert-butyl-4-(5-thioxo-1,3,4-thiadiazolidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C16H22CaN2OS2+2 MolecularWeight: 362.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NNC(=S)S2)C=C(C1=O)C(C)(C)C.[Ca+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C2NNC(=S)S2)C=C(C1=O)C(C)(C)C.[Ca+2]

InChI

InChI=1S/C16H22N2OS2.Ca/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6;/h7-8,17H,1-6H3,(H,18,20);/q;+2