2,6-ditert-butyl-4-(3-methyl-3-propyl-1,3-thiazolidin-3-ium-2-yl)phenol; 1-methoxy-2-(3-nitrosopropylsulfanyl)benzene

Systemtic Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-1,3-thiazolidin-3-ium-2-yl)phenol; 1-methoxy-2-(3-nitrosopropylsulfanyl)benzene Openeye Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-thiazolidin-3-ium-2-yl)phenol; 1-methoxy-2-(3-nitrosopropylsulfanyl)benzene CAS Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-2-thiazolidin-3-iumyl)phenol; 1-methoxy-2-(3-nitrosopropylthio)benzene IUPAC Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-1,3-thiazolidin-3-ium-2-yl)phenol; 1-methoxy-2-(3-nitrosopropylsulfanyl)benzene Traditional Name: 2,6-ditert-butyl-4-(3-methyl-3-propyl-thiazolidin-3-ium-2-yl)phenol; 1-methoxy-2-(3-nitrosopropylthio)benzene Formula: C31H49N2O3S2+ MolecularWeight: 561.86236

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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.COC1=CC=CC=C1SCCCN=O

Isomeric SMILES

CCC[N+]1(CCSC1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C.COC1=CC=CC=C1SCCCN=O

InChI

InChI=1S/C21H35NOS.C10H13NO2S/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;1-13-9-5-2-3-6-10(9)14-8-4-7-11-12/h13-14,19H,9-12H2,1-8H3;2-3,5-6H,4,7-8H2,1H3/p+1