hydrogen sulfate; 1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalene-2-diazonium

Systemtic Name: hydrogen sulfate; 1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalene-2-diazonium Openeye Name: hydrogen sulfate; 1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalene-2-diazonium CAS Name: hydrogen sulfate; 1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthalenediazonium IUPAC Name: hydrogen sulfate; 1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalene-2-diazonium Traditional Name: 1-sulfo-6-(2-sulfoxyethylsulfonyl)naphthalene-2-diazonium bisulfate Formula: C12H12N2O13S4 MolecularWeight: 520.48928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)[N+]#N)C=C1S(=O)(=O)CCOS(=O)(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)[N+]#N)C=C1S(=O)(=O)CCOS(=O)(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C12H10N2O9S3.H2O4S/c13-14-11-4-1-8-7-9(2-3-10(8)12(11)25(17,18)19)24(15,16)6-5-23-26(20,21)22;1-5(2,3)4/h1-4,7H,5-6H2,(H-,17,18,19,20,21,22);(H2,1,2,3,4)