4-methyl-4-pentyl-cyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: 4-methyl-4-pentyl-cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 4-methyl-4-pentyl-cyclohexa-2,5-diene-1-sulfonic acid CAS Name: 4-methyl-4-pentyl-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 4-methyl-4-pentylcyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 4-amyl-4-methyl-cyclohexa-2,5-diene-1-sulfonic acid Formula: C12H20O3S MolecularWeight: 244.3504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)S(=O)(=O)O)C

Isomeric SMILES

CCCCCC1(C=CC(C=C1)S(=O)(=O)O)C

InChI

InChI=1S/C12H20O3S/c1-3-4-5-8-12(2)9-6-11(7-10-12)16(13,14)15/h6-7,9-11H,3-5,8H2,1-2H3,(H,13,14,15)