1-pentylcyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 1-pentylcyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 1-pentylcyclohexa-2,4-diene-1-sulfonic acid CAS Name: 1-pentyl-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 1-pentylcyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 1-amylcyclohexa-2,4-diene-1-sulfonic acid Formula: C11H18O3S MolecularWeight: 230.32382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18O3S/c1-2-3-5-8-11(15(12,13)14)9-6-4-7-10-11/h4,6-7,9H,2-3,5,8,10H2,1H3,(H,12,13,14)