3-[(4-methanoylphenyl)-(3-sulfopropyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-methanoylphenyl)-(3-sulfopropyl)amino]propane-1-sulfonic acid Openeye Name: 3-[4-formyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid CAS Name: 3-[4-formyl-N-(3-sulfopropyl)anilino]-1-propanesulfonic acid IUPAC Name: 3-[4-formyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid Traditional Name: 3-[4-formyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid Formula: C13H19NO7S2 MolecularWeight: 365.42246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)N(CCCS(=O)(=O)O)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=O)N(CCCS(=O)(=O)O)CCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO7S2/c15-11-12-3-5-13(6-4-12)14(7-1-9-22(16,17)18)8-2-10-23(19,20)21/h3-6,11H,1-2,7-10H2,(H,16,17,18)(H,19,20,21)