zinc; 2-(2-azanylethyliminomethyl)-4-[(5,7-disulfonaphthalen-2-yl)diazenyl]phenolate; ethane-1,2-diamine

Systemtic Name: zinc; 2-(2-azanylethyliminomethyl)-4-[(5,7-disulfonaphthalen-2-yl)diazenyl]phenolate; ethane-1,2-diamine Openeye Name: zinc; 2-(2-aminoethyliminomethyl)-4-[(5,7-disulfo-2-naphthyl)azo]phenolate; ethane-1,2-diamine CAS Name: zinc; 2-(2-aminoethyliminomethyl)-4-[(5,7-disulfo-2-naphthalenyl)azo]phenolate; ethane-1,2-diamine IUPAC Name: zinc; 2-(2-aminoethyliminomethyl)-4-[(5,7-disulfonaphthalen-2-yl)diazenyl]phenolate; ethane-1,2-diamine Traditional Name: zinc; 2-aminoethylamine; 2-(2-aminoethyliminomethyl)-4-[(5,7-disulfo-2-naphthyl)azo]phenolate Formula: C42H50N12O14S4Zn MolecularWeight: 1140.5874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1N=NC3=CC(=C(C=C3)[O-])C=NCCN)S(=O)(=O)O)S(=O)(=O)O.C1=CC2=C(C=C(C=C2C=C1N=NC3=CC(=C(C=C3)[O-])C=NCCN)S(=O)(=O)O)S(=O)(=O)O.C(CN)N.C(CN)N.[Zn+2]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1N=NC3=CC(=C(C=C3)[O-])C=NCCN)S(=O)(=O)O)S(=O)(=O)O.C1=CC2=C(C=C(C=C2C=C1N=NC3=CC(=C(C=C3)[O-])C=NCCN)S(=O)(=O)O)S(=O)(=O)O.C(CN)N.C(CN)N.[Zn+2]

InChI

InChI=1S/2C19H18N4O7S2.2C2H8N2.Zn/c2*20-5-6-21-11-13-8-15(2-4-18(13)24)23-22-14-1-3-17-12(7-14)9-16(31(25,26)27)10-19(17)32(28,29)30;2*3-1-2-4;/h2*1-4,7-11,24H,5-6,20H2,(H,25,26,27)(H,28,29,30);2*1-4H2;/q;;;;+2/p-2