1-(2-chloranyl-4-ethyl-phenyl)but-3-ene-1-sulfonic acid

Systemtic Name: 1-(2-chloranyl-4-ethyl-phenyl)but-3-ene-1-sulfonic acid Openeye Name: 1-(2-chloro-4-ethyl-phenyl)but-3-ene-1-sulfonic acid CAS Name: 1-(2-chloro-4-ethylphenyl)-3-butene-1-sulfonic acid IUPAC Name: 1-(2-chloro-4-ethylphenyl)but-3-ene-1-sulfonic acid Traditional Name: 1-(2-chloro-4-ethyl-phenyl)but-3-ene-1-sulfonic acid Formula: C12H15ClO3S MolecularWeight: 274.7637

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(CC=C)S(=O)(=O)O)Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)C(CC=C)S(=O)(=O)O)Cl

InChI

InChI=1S/C12H15ClO3S/c1-3-5-12(17(14,15)16)10-7-6-9(4-2)8-11(10)13/h3,6-8,12H,1,4-5H2,2H3,(H,14,15,16)