5-azanyl-2-[2-(3-azanyl-5-sulfo-phenyl)ethyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[2-(3-azanyl-5-sulfo-phenyl)ethyl]benzenesulfonic acid Openeye Name: 5-amino-2-[2-(3-amino-5-sulfo-phenyl)ethyl]benzenesulfonic acid CAS Name: 5-amino-2-[2-(3-amino-5-sulfophenyl)ethyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[2-(3-amino-5-sulfophenyl)ethyl]benzenesulfonic acid Traditional Name: 5-amino-2-[2-(3-amino-5-sulfo-phenyl)ethyl]besylic acid Formula: C14H16N2O6S2 MolecularWeight: 372.41664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)CCC2=CC(=CC(=C2)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)CCC2=CC(=CC(=C2)S(=O)(=O)O)N

InChI

InChI=1S/C14H16N2O6S2/c15-11-4-3-10(14(8-11)24(20,21)22)2-1-9-5-12(16)7-13(6-9)23(17,18)19/h3-8H,1-2,15-16H2,(H,17,18,19)(H,20,21,22)