2,4-dinitro-1-oxidanyl-5-(sulfinatoamino)naphthalene; phenylmethanesulfonic acid

Systemtic Name: 2,4-dinitro-1-oxidanyl-5-(sulfinatoamino)naphthalene; phenylmethanesulfonic acid Openeye Name: 1-hydroxy-2,4-dinitro-5-(sulfinatoamino)naphthalene; phenylmethanesulfonic acid CAS Name: 1-hydroxy-2,4-dinitro-5-(sulfinatoamino)naphthalene; phenylmethanesulfonic acid IUPAC Name: 1-hydroxy-2,4-dinitro-5-(sulfinatoamino)naphthalene; phenylmethanesulfonic acid Traditional Name: 1-hydroxy-2,4-dinitro-5-(sulfinatoamino)naphthalene; phenylmethanesulfonic acid Formula: C17H14N3O10S2- MolecularWeight: 484.43716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC2=C(C(=C1)NS(=O)[O-])C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC2=C(C(=C1)NS(=O)[O-])C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O7S.C7H8O3S/c14-10-5-2-1-3-6(11-21(19)20)9(5)7(12(15)16)4-8(10)13(17)18;8-11(9,10)6-7-4-2-1-3-5-7/h1-4,11,14H,(H,19,20);1-5H,6H2,(H,8,9,10)/p-1