4-butyl-7-methyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene-3-sulfonic acid

Systemtic Name: 4-butyl-7-methyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene-3-sulfonic acid Openeye Name: 4-butyl-7-methyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene-3-sulfonic acid CAS Name: 4-butyl-7-methyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene-3-sulfonic acid IUPAC Name: 4-butyl-7-methyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene-3-sulfonic acid Traditional Name: 4-butyl-7-methyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene-3-sulfonic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1O2)C)S(=O)(=O)O

Isomeric SMILES

CCCCC1=C(C=C2C(=C1O2)C)S(=O)(=O)O

InChI

InChI=1S/C11H14O4S/c1-3-4-5-8-10(16(12,13)14)6-9-7(2)11(8)15-9/h6H,3-5H2,1-2H3,(H,12,13,14)