5-azanyl-2-[1-(4-azanylphenoxy)-2-sulfo-ethoxy]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[1-(4-azanylphenoxy)-2-sulfo-ethoxy]benzenesulfonic acid Openeye Name: 5-amino-2-[1-(4-aminophenoxy)-2-sulfo-ethoxy]benzenesulfonic acid CAS Name: 5-amino-2-[1-(4-aminophenoxy)-2-sulfoethoxy]benzenesulfonic acid IUPAC Name: 5-amino-2-[1-(4-aminophenoxy)-2-sulfoethoxy]benzenesulfonic acid Traditional Name: 5-amino-2-[1-(4-aminophenoxy)-2-sulfo-ethoxy]besylic acid Formula: C14H16N2O8S2 MolecularWeight: 404.41544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)OC(CS(=O)(=O)O)OC2=C(C=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)OC(CS(=O)(=O)O)OC2=C(C=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C14H16N2O8S2/c15-9-1-4-11(5-2-9)23-14(8-25(17,18)19)24-12-6-3-10(16)7-13(12)26(20,21)22/h1-7,14H,8,15-16H2,(H,17,18,19)(H,20,21,22)