copper; 2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate; 4-oxidanidyl-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate

Systemtic Name: copper; 2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate; 4-oxidanidyl-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate Openeye Name: copper; 2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate; 4-oxido-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate CAS Name: copper; 2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate; 4-oxido-7-[(1-oxo-3-sulfopropyl)amino]-2-naphthalenesulfonate IUPAC Name: copper; 2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate; 4-oxido-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate Traditional Name: cupric; 2-diazonio-4-(2-sulfoxyethylsulfonyl)phenolate; 4-oxido-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate Formula: C21H19CuN3O15S4 MolecularWeight: 745.19266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)CCS(=O)(=O)O)S(=O)(=O)[O-])[O-].C1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)[N+]#N)[O-].[Cu+2]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)CCS(=O)(=O)O)S(=O)(=O)[O-])[O-].C1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)[N+]#N)[O-].[Cu+2]

InChI

InChI=1S/C13H13NO8S2.C8H8N2O7S2.Cu/c15-12-7-10(24(20,21)22)6-8-5-9(1-2-11(8)12)14-13(16)3-4-23(17,18)19;9-10-7-5-6(1-2-8(7)11)18(12,13)4-3-17-19(14,15)16;/h1-2,5-7,15H,3-4H2,(H,14,16)(H,17,18,19)(H,20,21,22);1-2,5H,3-4H2,(H-,11,14,15,16);/q;;+2/p-2