copper; hydron; 3-[[3-methyl-5-oxidanidyl-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]pyrazol-4-yl]diazenyl]-4-oxidanidyl-benzenesulfonate

Systemtic Name: copper; hydron; 3-[[3-methyl-5-oxidanidyl-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]pyrazol-4-yl]diazenyl]-4-oxidanidyl-benzenesulfonate Openeye Name: copper; hydron; 3-[3-methyl-5-oxido-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]pyrazol-4-yl]azo-4-oxido-benzenesulfonate CAS Name: copper; hydron; 3-[[3-methyl-5-oxido-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4-pyrazolyl]azo]-4-oxidobenzenesulfonate IUPAC Name: copper; hydron; 3-[[3-methyl-5-oxido-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]pyrazol-4-yl]diazenyl]-4-oxidobenzenesulfonate Traditional Name: cupric; hydron; 3-[3-methyl-5-oxido-1-[4-(2-sulfatoethylsulfonyl)phenyl]pyrazol-4-yl]azo-4-oxido-besylate Formula: C18H16CuN4O11S3 MolecularWeight: 624.08084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Cu+2]

Isomeric SMILES

[H+].[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Cu+2]

InChI

InChI=1S/C18H18N4O11S3.Cu/c1-11-17(20-19-15-10-14(35(27,28)29)6-7-16(15)23)18(24)22(21-11)12-2-4-13(5-3-12)34(25,26)9-8-33-36(30,31)32;/h2-7,10,23-24H,8-9H2,1H3,(H,27,28,29)(H,30,31,32);/q;+2/p-2