4-tert-butylbenzenethiolate; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine

Systemtic Name: 4-tert-butylbenzenethiolate; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine Openeye Name: cobaltous; 4-tert-butylbenzenethiolate; N-[(Z)-1-methyl-2-nitroso-prop-1-enyl]hydroxylamine CAS Name: 4-tert-butylbenzenethiolate; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine IUPAC Name: 4-tert-butylbenzenethiolate; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine Traditional Name: cobaltous; 4-tert-butylbenzenethiolate; N-[(Z)-1-methyl-2-nitroso-prop-1-enyl]hydroxylamine Formula: C28H42CoN4O4S2 MolecularWeight: 621.72068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)N=O)NO.CC(=C(C)N=O)NO.CC(C)(C)C1=CC=C(C=C1)[S-].CC(C)(C)C1=CC=C(C=C1)[S-].[Co+2]

Isomeric SMILES

C/C(=C(/N=O)\C)/NO.C/C(=C(/N=O)\C)/NO.CC(C1=CC=C(C=C1)[S-])(C)C.CC(C1=CC=C(C=C1)[S-])(C)C.[Co+2]

InChI

InChI=1S/2C10H14S.2C4H8N2O2.Co/c2*1-10(2,3)8-4-6-9(11)7-5-8;2*1-3(5-7)4(2)6-8;/h2*4-7,11H,1-3H3;2*5,7H,1-2H3;/q;;;;+2/p-2/b;;2*4-3-;