2,6-ditert-butyl-4-(3-methyl-3-propyl-1,3-thiazolidin-3-ium-2-yl)phenol; 3-(3-nitrosopropyl)-1,3-thiazolidine-2,4-dione

Systemtic Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-1,3-thiazolidin-3-ium-2-yl)phenol; 3-(3-nitrosopropyl)-1,3-thiazolidine-2,4-dione Openeye Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-thiazolidin-3-ium-2-yl)phenol; 3-(3-nitrosopropyl)thiazolidine-2,4-dione CAS Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-2-thiazolidin-3-iumyl)phenol; 3-(3-nitrosopropyl)thiazolidine-2,4-dione IUPAC Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-1,3-thiazolidin-3-ium-2-yl)phenol; 3-(3-nitrosopropyl)-1,3-thiazolidine-2,4-dione Traditional Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-thiazolidin-3-ium-2-yl)phenol; 3-(3-nitrosopropyl)thiazolidine-2,4-quinone Formula: C27H44N3O4S2+ MolecularWeight: 538.78596

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCSC1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C.C1C(=O)N(C(=O)S1)CCCN=O

Isomeric SMILES

CCC[N+]1(CCSC1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C.C1C(=O)N(C(=O)S1)CCCN=O

InChI

InChI=1S/C21H35NOS.C6H8N2O3S/c1-9-10-22(8)11-12-24-19(22)15-13-16(20(2,3)4)18(23)17(14-15)21(5,6)7;9-5-4-12-6(10)8(5)3-1-2-7-11/h13-14,19H,9-12H2,1-8H3;1-4H2/p+1