4-[2-[2-[2-(4-sulfophenyl)ethylamino]ethylamino]ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-[2-[2-(4-sulfophenyl)ethylamino]ethylamino]ethyl]benzenesulfonic acid Openeye Name: 4-[2-[2-[2-(4-sulfophenyl)ethylamino]ethylamino]ethyl]benzenesulfonic acid CAS Name: 4-[2-[2-[2-(4-sulfophenyl)ethylamino]ethylamino]ethyl]benzenesulfonic acid IUPAC Name: 4-[2-[2-[2-(4-sulfophenyl)ethylamino]ethylamino]ethyl]benzenesulfonic acid Traditional Name: 4-[2-[2-[2-(4-sulfophenyl)ethylamino]ethylamino]ethyl]besylic acid Formula: C18H24N2O6S2 MolecularWeight: 428.52296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCCNCCC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNCCNCCC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H24N2O6S2/c21-27(22,23)17-5-1-15(2-6-17)9-11-19-13-14-20-12-10-16-3-7-18(8-4-16)28(24,25)26/h1-8,19-20H,9-14H2,(H,21,22,23)(H,24,25,26)