3-[4,5-bis(azanyl)-2-methyl-phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[4,5-bis(azanyl)-2-methyl-phenoxy]propane-1-sulfonic acid Openeye Name: 3-(4,5-diamino-2-methyl-phenoxy)propane-1-sulfonic acid CAS Name: 3-(4,5-diamino-2-methylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4,5-diamino-2-methylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4,5-diamino-2-methyl-phenoxy)propane-1-sulfonic acid Formula: C10H16N2O4S MolecularWeight: 260.31004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCCCS(=O)(=O)O)N)N

Isomeric SMILES

CC1=CC(=C(C=C1OCCCS(=O)(=O)O)N)N

InChI

InChI=1S/C10H16N2O4S/c1-7-5-8(11)9(12)6-10(7)16-3-2-4-17(13,14)15/h5-6H,2-4,11-12H2,1H3,(H,13,14,15)