2-azanidylethyl-[2-(phenazin-1-ylcarbonylamino)ethyl]azanide; cobalt(3+); [(Z)-3-methyl-4-oxidanyl-pent-3-en-2-ylidene]oxidanium

Systemtic Name: 2-azanidylethyl-[2-(phenazin-1-ylcarbonylamino)ethyl]azanide; cobalt(3+); [(Z)-3-methyl-4-oxidanyl-pent-3-en-2-ylidene]oxidanium Openeye Name: cobaltic; 2-azanidylethyl-[2-(phenazine-1-carbonylamino)ethyl]azanide; [(Z)-3-hydroxy-1,2-dimethyl-but-2-enylidene]oxonium CAS Name: 2-azanidylethyl-[2-[[oxo(1-phenazinyl)methyl]amino]ethyl]azanide; cobalt(3+); [(Z)-4-hydroxy-3-methylpent-3-en-2-ylidene]oxonium IUPAC Name: 2-azanidylethyl-[2-(phenazine-1-carbonylamino)ethyl]azanide; cobalt(3+); [(Z)-4-hydroxy-3-methylpent-3-en-2-ylidene]oxidanium Traditional Name: cobaltic; 2-amidylethyl-[2-(phenazine-1-carbonylamino)ethyl]azanide; [(Z)-3-hydroxy-1,2-dimethyl-but-2-enylidene]oxonium Formula: C29H39CoN5O5+3 MolecularWeight: 596.58366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)O)C(=[OH+])C.CC(=C(C)O)C(=[OH+])C.C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NCC[N-]CC[NH-].[Co+3]

Isomeric SMILES

C/C(=C(/O)\C)/C(=[OH+])C.C/C(=C(/O)\C)/C(=[OH+])C.C1=CC=C2N=C3C(=CC=CC3=NC2=C1)C(=O)NCC[N-]CC[NH-].[Co+3]

InChI

InChI=1S/C17H17N5O.2C6H10O2.Co/c18-8-9-19-10-11-20-17(23)12-4-3-7-15-16(12)22-14-6-2-1-5-13(14)21-15;2*1-4(5(2)7)6(3)8;/h1-7,18H,8-11H2,(H,20,23);2*7H,1-3H3;/q-2;;;+3/p+2/b;2*5-4-;