benzenethiolate; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine; phenylazanide

Systemtic Name: benzenethiolate; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine; phenylazanide Openeye Name: cobaltous; benzenethiolate; N-[(Z)-1-methyl-2-nitroso-prop-1-enyl]hydroxylamine; phenylazanide CAS Name: benzenethiolate; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine; phenylazanide IUPAC Name: benzenethiolate; cobalt(2+); N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine; phenylazanide Traditional Name: cobaltous; benzenethiolate; N-[(Z)-1-methyl-2-nitroso-prop-1-enyl]hydroxylamine; phenylazanide Formula: C20H27CoN5O4S MolecularWeight: 492.45768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6N.C6H6S.2C4H8N2O2.Co/c2*7-6-4-2-1-3-5-6;2*1-3(5-7)4(2)6-8;/h2*1-5,7H;2*5,7H,1-2H3;/q-1;;;;+2/p-1/b;;2*4-3-;