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

Systemtic Name: 3-[3,6-bis(azanyl)-2-(3-sulfopropyl)phenyl]propane-1-sulfonic acid Openeye Name: 3-[3,6-diamino-2-(3-sulfopropyl)phenyl]propane-1-sulfonic acid CAS Name: 3-[3,6-diamino-2-(3-sulfopropyl)phenyl]-1-propanesulfonic acid IUPAC Name: 3-[3,6-diamino-2-(3-sulfopropyl)phenyl]propane-1-sulfonic acid Traditional Name: 3-[3,6-diamino-2-(3-sulfopropyl)phenyl]propane-1-sulfonic acid Formula: C12H20N2O6S2 MolecularWeight: 352.427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N)CCCS(=O)(=O)O)CCCS(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1N)CCCS(=O)(=O)O)CCCS(=O)(=O)O)N

InChI

InChI=1S/C12H20N2O6S2/c13-11-5-6-12(14)10(4-2-8-22(18,19)20)9(11)3-1-7-21(15,16)17/h5-6H,1-4,7-8,13-14H2,(H,15,16,17)(H,18,19,20)