6-ethoxycarbonylcyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 6-ethoxycarbonylcyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 6-ethoxycarbonylcyclohexa-1,5-diene-1-sulfonic acid CAS Name: 6-ethoxycarbonyl-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 6-ethoxycarbonylcyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 6-carbethoxycyclohexa-1,5-diene-1-sulfonic acid Formula: C9H12O5S MolecularWeight: 232.25358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCC=C1S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CCCC=C1S(=O)(=O)O

InChI

InChI=1S/C9H12O5S/c1-2-14-9(10)7-5-3-4-6-8(7)15(11,12)13/h5-6H,2-4H2,1H3,(H,11,12,13)