3-[5-azanyl-2-[(4-azanyl-3-sulfo-phenyl)amino]phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[5-azanyl-2-[(4-azanyl-3-sulfo-phenyl)amino]phenyl]sulfonylpropanoic acid Openeye Name: 3-[5-amino-2-(4-amino-3-sulfo-anilino)phenyl]sulfonylpropanoic acid CAS Name: 3-[5-amino-2-(4-amino-3-sulfoanilino)phenyl]sulfonylpropanoic acid IUPAC Name: 3-[5-amino-2-(4-amino-3-sulfoanilino)phenyl]sulfonylpropanoic acid Traditional Name: 3-[5-amino-2-(4-amino-3-sulfo-anilino)phenyl]sulfonylpropionic acid Formula: C15H17N3O7S2 MolecularWeight: 415.44138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)CCC(=O)O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)CCC(=O)O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C15H17N3O7S2/c16-9-1-4-12(14(7-9)26(21,22)6-5-15(19)20)18-10-2-3-11(17)13(8-10)27(23,24)25/h1-4,7-8,18H,5-6,16-17H2,(H,19,20)(H,23,24,25)