2-(7-diazonio-3-sulfo-naphthalen-1-yl)sulfonylethyl sulfate

Systemtic Name: 2-(7-diazonio-3-sulfo-naphthalen-1-yl)sulfonylethyl sulfate Openeye Name: 2-[(7-diazonio-3-sulfo-1-naphthyl)sulfonyl]ethyl sulfate CAS Name: 2-[(7-diazonio-3-sulfo-1-naphthalenyl)sulfonyl]ethyl sulfate IUPAC Name: 2-(7-diazonio-3-sulfonaphthalen-1-yl)sulfonylethyl sulfate Traditional Name: 2-[(7-diazonio-3-sulfo-1-naphthyl)sulfonyl]ethyl sulfate Formula: C12H10N2O9S3 MolecularWeight: 422.4108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)[O-])[N+]#N

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)[O-])[N+]#N

InChI

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