5-azanyl-2-[(4-azanyl-2-sulfo-phenyl)methylsulfanylmethyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(4-azanyl-2-sulfo-phenyl)methylsulfanylmethyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(4-amino-2-sulfo-phenyl)methylsulfanylmethyl]benzenesulfonic acid CAS Name: 5-amino-2-[[(4-amino-2-sulfophenyl)methylthio]methyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(4-amino-2-sulfophenyl)methylsulfanylmethyl]benzenesulfonic acid Traditional Name: 5-amino-2-[[(4-amino-2-sulfo-benzyl)thio]methyl]besylic acid Formula: C14H16N2O6S3 MolecularWeight: 404.48164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)CSCC2=C(C=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)CSCC2=C(C=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C14H16N2O6S3/c15-11-3-1-9(13(5-11)24(17,18)19)7-23-8-10-2-4-12(16)6-14(10)25(20,21)22/h1-6H,7-8,15-16H2,(H,17,18,19)(H,20,21,22)