3-(5-ethyl-2-oxidanyl-phenyl)propane-1-sulfonic acid

Systemtic Name: 3-(5-ethyl-2-oxidanyl-phenyl)propane-1-sulfonic acid Openeye Name: 3-(5-ethyl-2-hydroxy-phenyl)propane-1-sulfonic acid CAS Name: 3-(5-ethyl-2-hydroxyphenyl)-1-propanesulfonic acid IUPAC Name: 3-(5-ethyl-2-hydroxyphenyl)propane-1-sulfonic acid Traditional Name: 3-(5-ethyl-2-hydroxy-phenyl)propane-1-sulfonic acid Formula: C11H16O4S MolecularWeight: 244.30734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)O)CCCS(=O)(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)O)CCCS(=O)(=O)O

InChI

InChI=1S/C11H16O4S/c1-2-9-5-6-11(12)10(8-9)4-3-7-16(13,14)15/h5-6,8,12H,2-4,7H2,1H3,(H,13,14,15)