5-nitronaphthalene-1,3,6-trisulfonic acid

Systemtic Name: 5-nitronaphthalene-1,3,6-trisulfonic acid Openeye Name: 5-nitronaphthalene-1,3,6-trisulfonic acid CAS Name: 5-nitronaphthalene-1,3,6-trisulfonic acid IUPAC Name: 5-nitronaphthalene-1,3,6-trisulfonic acid Traditional Name: 5-nitronaphthalene-1,3,6-trisulfonic acid Formula: C10H7NO11S3 MolecularWeight: 413.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C10H7NO11S3/c12-11(13)10-7-3-5(23(14,15)16)4-9(25(20,21)22)6(7)1-2-8(10)24(17,18)19/h1-4H,(H,14,15,16)(H,17,18,19)(H,20,21,22)