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

Systemtic Name: 3-[4,5-bis(azanyl)-2-methoxy-phenoxy]propane-1-sulfonic acid Openeye Name: 3-(4,5-diamino-2-methoxy-phenoxy)propane-1-sulfonic acid CAS Name: 3-(4,5-diamino-2-methoxyphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4,5-diamino-2-methoxyphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4,5-diamino-2-methoxy-phenoxy)propane-1-sulfonic acid Formula: C10H16N2O5S MolecularWeight: 276.30944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N)N)OCCCS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)N)N)OCCCS(=O)(=O)O

InChI

InChI=1S/C10H16N2O5S/c1-16-9-5-7(11)8(12)6-10(9)17-3-2-4-18(13,14)15/h5-6H,2-4,11-12H2,1H3,(H,13,14,15)