3-[3,6-bis(azanyl)-2-butyl-phenyl]propane-1-sulfonic acid

Systemtic Name: 3-[3,6-bis(azanyl)-2-butyl-phenyl]propane-1-sulfonic acid Openeye Name: 3-(3,6-diamino-2-butyl-phenyl)propane-1-sulfonic acid CAS Name: 3-(3,6-diamino-2-butylphenyl)-1-propanesulfonic acid IUPAC Name: 3-(3,6-diamino-2-butylphenyl)propane-1-sulfonic acid Traditional Name: 3-(3,6-diamino-2-butyl-phenyl)propane-1-sulfonic acid Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1CCCS(=O)(=O)O)N)N

Isomeric SMILES

CCCCC1=C(C=CC(=C1CCCS(=O)(=O)O)N)N

InChI

InChI=1S/C13H22N2O3S/c1-2-3-5-10-11(6-4-9-19(16,17)18)13(15)8-7-12(10)14/h7-8H,2-6,9,14-15H2,1H3,(H,16,17,18)