(6E)-2-oxidanyl-6-(1-oxidanylpropylidene)-4-sulfo-4H-naphthalene-1-diazonium

Systemtic Name: (6E)-2-oxidanyl-6-(1-oxidanylpropylidene)-4-sulfo-4H-naphthalene-1-diazonium Openeye Name: (6E)-2-hydroxy-6-(1-hydroxypropylidene)-4-sulfo-4H-naphthalene-1-diazonium CAS Name: (6E)-2-hydroxy-6-(1-hydroxypropylidene)-4-sulfo-4H-naphthalene-1-diazonium IUPAC Name: (6E)-2-hydroxy-6-(1-hydroxypropylidene)-4-sulfo-4H-naphthalene-1-diazonium Traditional Name: (6E)-2-hydroxy-6-(1-hydroxypropylidene)-4-sulfo-4H-naphthalene-1-diazonium Formula: C13H13N2O5S+ MolecularWeight: 309.31772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=CC2=C(C(=CC(C2=C1)S(=O)(=O)O)O)[N+]#N)O

Isomeric SMILES

CC/C(=C\1/C=CC2=C(C(=CC(C2=C1)S(=O)(=O)O)O)[N+]#N)/O

InChI

InChI=1S/C13H12N2O5S/c1-2-10(16)7-3-4-8-9(5-7)12(21(18,19)20)6-11(17)13(8)15-14/h3-6,12H,2H2,1H3,(H2-,16,17,18,19,20)/p+1/b10-7+