2-[4-(2-methylpropyl)phenyl]-1-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-1-oxidanyl-propane-1-sulfonic acid Openeye Name: 1-hydroxy-2-(4-isobutylphenyl)propane-1-sulfonic acid CAS Name: 1-hydroxy-2-[4-(2-methylpropyl)phenyl]-1-propanesulfonic acid IUPAC Name: 1-hydroxy-2-[4-(2-methylpropyl)phenyl]propane-1-sulfonic acid Traditional Name: 1-hydroxy-2-(4-isobutylphenyl)propane-1-sulfonic acid Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(O)S(=O)(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(O)S(=O)(=O)O

InChI

InChI=1S/C13H20O4S/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)18(15,16)17/h4-7,9-10,13-14H,8H2,1-3H3,(H,15,16,17)