6-azanyl-4-(2-phosphonatoethylsulfonyl)naphthalene-2-sulfonic acid

Systemtic Name: 6-azanyl-4-(2-phosphonatoethylsulfonyl)naphthalene-2-sulfonic acid Openeye Name: 6-amino-4-(2-phosphonatoethylsulfonyl)naphthalene-2-sulfonic acid CAS Name: 6-amino-4-(2-phosphonatoethylsulfonyl)-2-naphthalenesulfonic acid IUPAC Name: 6-amino-4-(2-phosphonatoethylsulfonyl)naphthalene-2-sulfonic acid Traditional Name: 6-amino-4-(2-phosphonatoethylsulfonyl)naphthalene-2-sulfonic acid Formula: C12H12NO8PS2-2 MolecularWeight: 393.329341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)CCP(=O)([O-])[O-])N

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)CCP(=O)([O-])[O-])N

InChI

InChI=1S/C12H14NO8PS2/c13-9-2-1-8-5-10(24(19,20)21)7-12(11(8)6-9)23(17,18)4-3-22(14,15)16/h1-2,5-7H,3-4,13H2,(H2,14,15,16)(H,19,20,21)/p-2