dicopper tetrasodium 3-[[2,5-bis(oxidanidyl)-6-[[2-oxidanidyl-5-sulfonato-3-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]-8-sulfonato-naphthalen-1-yl]diazenyl]-4-oxidanidyl-naphthalene-1,7-disulfonate

Systemtic Name: dicopper tetrasodium 3-[[2,5-bis(oxidanidyl)-6-[[2-oxidanidyl-5-sulfonato-3-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]-8-sulfonato-naphthalen-1-yl]diazenyl]-4-oxidanidyl-naphthalene-1,7-disulfonate Openeye Name: dicopper tetrasodium 3-[[2,5-dioxido-6-[2-oxido-5-sulfonato-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo-8-sulfonato-1-naphthyl]azo]-4-oxido-naphthalene-1,7-disulfonate CAS Name: dicopper tetrasodium 3-[[2,5-dioxido-6-[2-oxido-5-sulfonato-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo-8-sulfonato-1-naphthalenyl]azo]-4-oxidonaphthalene-1,7-disulfonate IUPAC Name: dicopper tetrasodium 3-[[2,5-dioxido-6-[[2-oxido-5-sulfonato-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonatonaphthalen-1-yl]diazenyl]-4-oxidonaphthalene-1,7-disulfonate Traditional Name: dicupric tetrasodium 3-[[2,5-dioxido-6-[2-oxido-5-sulfonato-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo-8-sulfonato-1-naphthyl]azo]-4-oxido-naphthalene-1,7-disulfonate Formula: C30H10Cl3Cu2N7Na4O16S4 MolecularWeight: 1178.10778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CC(=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC3=C(C=CC4=C(C(=CC(=C43)S(=O)(=O)[O-])N=NC5=CC(=CC(=C5[O-])NC6=C(C(=NC(=N6)Cl)Cl)Cl)S(=O)(=O)[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC2=C(C(=CC(=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC3=C(C=CC4=C(C(=CC(=C43)S(=O)(=O)[O-])N=NC5=CC(=CC(=C5[O-])NC6=C(C(=NC(=N6)Cl)Cl)Cl)S(=O)(=O)[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

InChI=1S/C30H18Cl3N7O16S4.2Cu.4Na/c31-23-28(32)35-30(33)36-29(23)34-15-6-11(58(48,49)50)7-16(27(15)44)37-38-18-9-21(60(54,55)56)22-13(26(18)43)3-4-19(41)24(22)40-39-17-8-20(59(51,52)53)14-5-10(57(45,46)47)1-2-12(14)25(17)42;;;;;;/h1-9,41-44H,(H,34,35,36)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;;/q;2*+2;4*+1/p-8