calcium 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: calcium 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3,4-thiadiazole-2-thione Openeye Name: calcium 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,3,4-thiadiazole-2-thione CAS Name: calcium 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-thiadiazole-2-thione IUPAC Name: calcium 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-thiadiazole-2-thione Traditional Name: calcium 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,3,4-thiadiazole-2-thione Formula: C16H22CaN2OS2+2 MolecularWeight: 362.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=S)SC=N2.[Ca+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=S)SC=N2.[Ca+2]

InChI

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