4-oxidanylhepta-1,6-diene-3-sulfonic acid

Systemtic Name: 4-oxidanylhepta-1,6-diene-3-sulfonic acid Openeye Name: 4-hydroxyhepta-1,6-diene-3-sulfonic acid CAS Name: 4-hydroxy-3-hepta-1,6-dienesulfonic acid IUPAC Name: 4-hydroxyhepta-1,6-diene-3-sulfonic acid Traditional Name: 4-hydroxyhepta-1,6-diene-3-sulfonic acid Formula: C7H12O4S MolecularWeight: 192.23278

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(C=C)S(=O)(=O)O)O

Isomeric SMILES

C=CCC(C(C=C)S(=O)(=O)O)O

InChI

InChI=1S/C7H12O4S/c1-3-5-6(8)7(4-2)12(9,10)11/h3-4,6-8H,1-2,5H2,(H,9,10,11)