(5-azanyl-2,4,7-trisulfo-4H-naphthalen-1-ylidene)-methyl-(1H-pyrrol-2-ylcarbonyl)azanium

Systemtic Name: (5-azanyl-2,4,7-trisulfo-4H-naphthalen-1-ylidene)-methyl-(1H-pyrrol-2-ylcarbonyl)azanium Openeye Name: (5-amino-2,4,7-trisulfo-4H-naphthalen-1-ylidene)-methyl-(1H-pyrrole-2-carbonyl)ammonium CAS Name: (5-amino-2,4,7-trisulfo-4H-naphthalen-1-ylidene)-methyl-[oxo(1H-pyrrol-2-yl)methyl]ammonium IUPAC Name: (5-amino-2,4,7-trisulfo-4H-naphthalen-1-ylidene)-methyl-(1H-pyrrole-2-carbonyl)azanium Traditional Name: (5-amino-2,4,7-trisulfo-4H-naphthalen-1-ylidene)-methyl-(1H-pyrrole-2-carbonyl)ammonium Formula: C16H16N3O10S3+ MolecularWeight: 506.50734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C(=CC(C2=C(C=C(C=C21)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)C(=O)C3=CC=CN3

Isomeric SMILES

C[N+](=C1C(=CC(C2=C(C=C(C=C21)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)C(=O)C3=CC=CN3

InChI

InChI=1S/C16H15N3O10S3/c1-19(16(20)11-3-2-4-18-11)15-9-5-8(30(21,22)23)6-10(17)14(9)12(31(24,25)26)7-13(15)32(27,28)29/h2-7,12H,17H2,1H3,(H3-,18,20,21,22,23,24,25,26,27,28,29)/p+1