2-diazonionaphthalen-1-olate; 4-(phenylcarbonyl)benzene-1,3-disulfonate

Systemtic Name: 2-diazonionaphthalen-1-olate; 4-(phenylcarbonyl)benzene-1,3-disulfonate Openeye Name: 4-benzoylbenzene-1,3-disulfonate; 2-diazonionaphthalen-1-olate CAS Name: 4-benzoylbenzene-1,3-disulfonate; 2-diazonio-1-naphthalenolate IUPAC Name: 4-benzoylbenzene-1,3-disulfonate; 2-diazonionaphthalen-1-olate Traditional Name: 4-benzoylbenzene-1,3-disulfonate; 2-diazonionaphthalen-1-olate Formula: C23H14N2O8S2-2 MolecularWeight: 510.49586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2[O-])[N+]#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2[O-])[N+]#N

InChI

InChI=1S/C13H10O7S2.C10H6N2O/c14-13(9-4-2-1-3-5-9)11-7-6-10(21(15,16)17)8-12(11)22(18,19)20;11-12-9-6-5-7-3-1-2-4-8(7)10(9)13/h1-8H,(H,15,16,17)(H,18,19,20);1-6H/p-2