3-(2-chloranyl-5-oxidanyl-6-sulfo-cyclohexa-1,5-dien-1-yl)-5-nitro-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-(2-chloranyl-5-oxidanyl-6-sulfo-cyclohexa-1,5-dien-1-yl)-5-nitro-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-(2-chloro-5-hydroxy-6-sulfo-cyclohexa-1,5-dien-1-yl)-4-hydroxy-5-nitro-benzenesulfonic acid CAS Name: 3-(2-chloro-5-hydroxy-6-sulfo-1-cyclohexa-1,5-dienyl)-4-hydroxy-5-nitrobenzenesulfonic acid IUPAC Name: 3-(2-chloro-5-hydroxy-6-sulfocyclohexa-1,5-dien-1-yl)-4-hydroxy-5-nitrobenzenesulfonic acid Traditional Name: 3-(2-chloro-5-hydroxy-6-sulfo-cyclohexa-1,5-dien-1-yl)-4-hydroxy-5-nitro-besylic acid Formula: C12H10ClNO10S2 MolecularWeight: 427.7915

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1O)S(=O)(=O)O)C2=CC(=CC(=C2O)[N+](=O)[O-])S(=O)(=O)O)Cl

Isomeric SMILES

C1CC(=C(C(=C1O)S(=O)(=O)O)C2=CC(=CC(=C2O)[N+](=O)[O-])S(=O)(=O)O)Cl

InChI

InChI=1S/C12H10ClNO10S2/c13-7-1-2-9(15)12(26(22,23)24)10(7)6-3-5(25(19,20)21)4-8(11(6)16)14(17)18/h3-4,15-16H,1-2H2,(H,19,20,21)(H,22,23,24)