1-azanyl-3-phenyl-propane-1,3-disulfonic acid

Systemtic Name: 1-azanyl-3-phenyl-propane-1,3-disulfonic acid Openeye Name: 1-amino-3-phenyl-propane-1,3-disulfonic acid CAS Name: 1-amino-3-phenylpropane-1,3-disulfonic acid IUPAC Name: 1-amino-3-phenylpropane-1,3-disulfonic acid Traditional Name: 1-amino-3-phenyl-propane-1,3-disulfonic acid Formula: C9H13NO6S2 MolecularWeight: 295.33262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H13NO6S2/c10-9(18(14,15)16)6-8(17(11,12)13)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2,(H,11,12,13)(H,14,15,16)