6-methyl-1-nitro-cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 6-methyl-1-nitro-cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 6-methyl-1-nitro-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 6-methyl-1-nitro-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 6-methyl-1-nitrocyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 6-methyl-1-nitro-cyclohexa-2,4-diene-1-sulfonic acid Formula: C7H9NO5S MolecularWeight: 219.21506

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC1([N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1C=CC=CC1([N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C7H9NO5S/c1-6-4-2-3-5-7(6,8(9)10)14(11,12)13/h2-6H,1H3,(H,11,12,13)