3-[(2-oxidanyl-6-propyl-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-oxidanyl-6-propyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(2-hydroxy-6-propyl-anilino)propane-1-sulfonic acid CAS Name: 3-(2-hydroxy-6-propylanilino)-1-propanesulfonic acid IUPAC Name: 3-(2-hydroxy-6-propylanilino)propane-1-sulfonic acid Traditional Name: 3-(2-hydroxy-6-propyl-anilino)propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)O)NCCCS(=O)(=O)O

Isomeric SMILES

CCCC1=C(C(=CC=C1)O)NCCCS(=O)(=O)O

InChI

InChI=1S/C12H19NO4S/c1-2-5-10-6-3-7-11(14)12(10)13-8-4-9-18(15,16)17/h3,6-7,13-14H,2,4-5,8-9H2,1H3,(H,15,16,17)