4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]benzenediazonium sulfate

Systemtic Name: 4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]benzenediazonium sulfate Openeye Name: 4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]benzenediazonium sulfate CAS Name: 4-[oxo-[3-(2-sulfooxyethylsulfonyl)anilino]methyl]benzenediazonium sulfate IUPAC Name: 4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]benzenediazonium sulfate Traditional Name: 4-[[3-(2-sulfoxyethylsulfonyl)phenyl]carbamoyl]benzenediazonium sulfate Formula: C30H28N6O18S5 MolecularWeight: 920.89772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC(=O)C2=CC=C(C=C2)[N+]#N.C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC(=O)C2=CC=C(C=C2)[N+]#N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC(=O)C2=CC=C(C=C2)[N+]#N.C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC(=O)C2=CC=C(C=C2)[N+]#N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H13N3O7S2.H2O4S/c2*16-18-12-6-4-11(5-7-12)15(19)17-13-2-1-3-14(10-13)26(20,21)9-8-25-27(22,23)24;1-5(2,3)4/h2*1-7,10H,8-9H2,(H-,17,19,22,23,24);(H2,1,2,3,4)