phenyl 6-chloranyl-5-nitro-cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: phenyl 6-chloranyl-5-nitro-cyclohexa-1,5-diene-1-sulfonate Openeye Name: phenyl 6-chloro-5-nitro-cyclohexa-1,5-diene-1-sulfonate CAS Name: 6-chloro-5-nitro-1-cyclohexa-1,5-dienesulfonic acid phenyl ester IUPAC Name: phenyl 6-chloro-5-nitrocyclohexa-1,5-diene-1-sulfonate Traditional Name: 6-chloro-5-nitro-cyclohexa-1,5-diene-1-sulfonic acid phenyl ester Formula: C12H10ClNO5S MolecularWeight: 315.7295

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClNO5S/c13-12-10(14(15)16)7-4-8-11(12)20(17,18)19-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2