2-[bis(2-chloroethyl)amino]ethylazanide; cobalt(3+); [(Z)-3-(2,4-dinitrophenyl)-4-oxidanyl-pent-3-en-2-ylidene]oxidanium

Systemtic Name: 2-[bis(2-chloroethyl)amino]ethylazanide; cobalt(3+); [(Z)-3-(2,4-dinitrophenyl)-4-oxidanyl-pent-3-en-2-ylidene]oxidanium Openeye Name: cobaltic; 2-[bis(2-chloroethyl)amino]ethylazanide; [(Z)-2-(2,4-dinitrophenyl)-3-hydroxy-1-methyl-but-2-enylidene]oxonium CAS Name: 2-[bis(2-chloroethyl)amino]ethylazanide; cobalt(3+); [(Z)-3-(2,4-dinitrophenyl)-4-hydroxypent-3-en-2-ylidene]oxonium IUPAC Name: 2-[bis(2-chloroethyl)amino]ethylazanide; cobalt(3+); [(Z)-3-(2,4-dinitrophenyl)-4-hydroxypent-3-en-2-ylidene]oxidanium Traditional Name: cobaltic; 2-[bis(2-chloroethyl)amino]ethylazanide; [(Z)-2-(2,4-dinitrophenyl)-3-hydroxy-1-methyl-but-2-enylidene]oxonium Formula: C28H35Cl2CoN6O12+4 MolecularWeight: 777.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=[OH+])C)O.CC(=C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=[OH+])C)O.C(CN(CCCl)CCCl)[NH-].[Co+3]

Isomeric SMILES

C/C(=C(/C(=[OH+])C)\C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/O.C/C(=C(/C(=[OH+])C)\C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/O.C([NH-])CN(CCCl)CCCl.[Co+3]

InChI

InChI=1S/2C11H10N2O6.C6H13Cl2N2.Co/c2*1-6(14)11(7(2)15)9-4-3-8(12(16)17)5-10(9)13(18)19;7-1-4-10(5-2-8)6-3-9;/h2*3-5,14H,1-2H3;9H,1-6H2;/q;;-1;+3/p+2/b2*11-6+;;