5-[1-(4-aminophenyl)-3-sulfo-propyl]-2-azanyl-benzenesulfonic acid

Systemtic Name: 5-[1-(4-aminophenyl)-3-sulfo-propyl]-2-azanyl-benzenesulfonic acid Openeye Name: 2-amino-5-[1-(4-aminophenyl)-3-sulfo-propyl]benzenesulfonic acid CAS Name: 2-amino-5-[1-(4-aminophenyl)-3-sulfopropyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[1-(4-aminophenyl)-3-sulfopropyl]benzenesulfonic acid Traditional Name: 2-amino-5-[1-(4-aminophenyl)-3-sulfo-propyl]besylic acid Formula: C15H18N2O6S2 MolecularWeight: 386.44322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCS(=O)(=O)O)C2=CC(=C(C=C2)N)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(CCS(=O)(=O)O)C2=CC(=C(C=C2)N)S(=O)(=O)O)N

InChI

InChI=1S/C15H18N2O6S2/c16-12-4-1-10(2-5-12)13(7-8-24(18,19)20)11-3-6-14(17)15(9-11)25(21,22)23/h1-6,9,13H,7-8,16-17H2,(H,18,19,20)(H,21,22,23)