3-sulfocyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 3-sulfocyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3-sulfocyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3-sulfo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3-sulfocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3-sulfocyclohexa-1,3-diene-1-carboxylic acid Formula: C7H8O5S MolecularWeight: 204.20042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1CC(=CC(=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C7H8O5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h3-4H,1-2H2,(H,8,9)(H,10,11,12)