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

Systemtic Name: 6-azanyl-4-(1-hydroxyethyl)-3-nitro-2-sulfanyl-benzenesulfonic acid Openeye Name: 6-amino-4-(1-hydroxyethyl)-3-nitro-2-sulfanyl-benzenesulfonic acid CAS Name: 6-amino-4-(1-hydroxyethyl)-2-mercapto-3-nitrobenzenesulfonic acid IUPAC Name: 6-amino-4-(1-hydroxyethyl)-3-nitro-2-sulfanylbenzenesulfonic acid Traditional Name: 6-amino-4-(1-hydroxyethyl)-2-mercapto-3-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)S(=O)(=O)O)N)O

Isomeric SMILES

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

InChI

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