2-azanyl-5-(1-hydroxyethyl)-4-nitro-3-sulfanyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(1-hydroxyethyl)-4-nitro-3-sulfanyl-benzenesulfonic acid Openeye Name: 2-amino-5-(1-hydroxyethyl)-4-nitro-3-sulfanyl-benzenesulfonic acid CAS Name: 2-amino-5-(1-hydroxyethyl)-3-mercapto-4-nitrobenzenesulfonic acid IUPAC Name: 2-amino-5-(1-hydroxyethyl)-4-nitro-3-sulfanylbenzenesulfonic acid Traditional Name: 2-amino-5-(1-hydroxyethyl)-3-mercapto-4-nitro-besylic acid Formula: C8H10N2O6S2 MolecularWeight: 294.3048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O6S2/c1-3(11)4-2-5(18(14,15)16)6(9)8(17)7(4)10(12)13/h2-3,11,17H,9H2,1H3,(H,14,15,16)