3-[2-azanyl-5-[4-azanyl-3-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[2-azanyl-5-[4-azanyl-3-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid Openeye Name: 3-[2-amino-5-[4-amino-3-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid CAS Name: 3-[2-amino-5-[4-amino-3-(3-sulfopropoxy)phenyl]phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[2-amino-5-[4-amino-3-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid Traditional Name: 3-[2-amino-5-[4-amino-3-(3-sulfopropoxy)phenyl]phenoxy]propane-1-sulfonic acid Formula: C18H24N2O8S2 MolecularWeight: 460.52176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O)N

InChI

InChI=1S/C18H24N2O8S2/c19-15-5-3-13(11-17(15)27-7-1-9-29(21,22)23)14-4-6-16(20)18(12-14)28-8-2-10-30(24,25)26/h3-6,11-12H,1-2,7-10,19-20H2,(H,21,22,23)(H,24,25,26)