4-methylbenzenesulfonic acid; 2-nitro-1-oxidanyl-5-(sulfinatoamino)naphthalene

Systemtic Name: 4-methylbenzenesulfonic acid; 2-nitro-1-oxidanyl-5-(sulfinatoamino)naphthalene Openeye Name: 1-hydroxy-2-nitro-5-(sulfinatoamino)naphthalene; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-2-nitro-5-(sulfinatoamino)naphthalene; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-2-nitro-5-(sulfinatoamino)naphthalene; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-2-nitro-5-(sulfinatoamino)naphthalene; tosylic acid Formula: C17H15N2O8S2- MolecularWeight: 439.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=CC(=C2O)[N+](=O)[O-])C(=C1)NS(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=CC(=C2O)[N+](=O)[O-])C(=C1)NS(=O)[O-]

InChI

InChI=1S/C10H8N2O5S.C7H8O3S/c13-10-7-2-1-3-8(11-18(16)17)6(7)4-5-9(10)12(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11,13H,(H,16,17);2-5H,1H3,(H,8,9,10)/p-1