copper trisodium 5-acetamido-4-oxidanidyl-3-[[2-oxidanidyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: copper trisodium 5-acetamido-4-oxidanidyl-3-[[2-oxidanidyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: copper trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate CAS Name: copper trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonate IUPAC Name: copper trisodium 5-acetamido-4-oxido-3-[[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: cupric trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfatoethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate Formula: C20H14CuN3Na3O15S4 MolecularWeight: 797.11157

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]

InChI

InChI=1S/C20H19N3O15S4.Cu.3Na/c1-10(24)21-15-9-13(40(29,30)31)6-11-7-17(41(32,33)34)19(20(26)18(11)15)23-22-14-8-12(2-3-16(14)25)39(27,28)5-4-38-42(35,36)37;;;;/h2-3,6-9,25-26H,4-5H2,1H3,(H,21,24)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;+2;3*+1/p-5