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6-azanylpyrene-1,4,8-trisulfonic acid

6-azanylpyrene-1,4,8-trisulfonic acid

Systemtic Name:6-azanylpyrene-1,4,8-trisulfonic acid
Openeye Name:6-aminopyrene-1,4,8-trisulfonic acid
CAS Name:6-aminopyrene-1,4,8-trisulfonic acid
IUPAC Name:6-aminopyrene-1,4,8-trisulfonic acid
Traditional Name:6-aminopyrene-1,4,8-trisulfonic acid
Formula: C16H11NO9S3
MolecularWeight: 457.45484
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C3=CC(=C4C=CC(=C1C4=C23)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O


Isomeric SMILES

C1=CC2=C(C=C(C3=CC(=C4C=CC(=C1C4=C23)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O


InChI

InChI=1S/C16H11NO9S3/c17-11-6-14(29(24,25)26)8-2-1-7-12(27(18,19)20)4-3-9-13(28(21,22)23)5-10(11)16(8)15(7)9/h1-6H,17H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)


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