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

Systemtic Name: 2-[1-(4-aminophenyl)-2-sulfo-ethyl]-5-azanyl-benzenesulfonic acid Openeye Name: 5-amino-2-[1-(4-aminophenyl)-2-sulfo-ethyl]benzenesulfonic acid CAS Name: 5-amino-2-[1-(4-aminophenyl)-2-sulfoethyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[1-(4-aminophenyl)-2-sulfoethyl]benzenesulfonic acid Traditional Name: 5-amino-2-[1-(4-aminophenyl)-2-sulfo-ethyl]besylic acid Formula: C14H16N2O6S2 MolecularWeight: 372.41664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6S2/c15-10-3-1-9(2-4-10)13(8-23(17,18)19)12-6-5-11(16)7-14(12)24(20,21)22/h1-7,13H,8,15-16H2,(H,17,18,19)(H,20,21,22)