4-methanoyl-2-[[4-(sulfomethylamino)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-methanoyl-2-[[4-(sulfomethylamino)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-formyl-2-[4-(sulfomethylamino)phenyl]azo-benzenesulfonic acid CAS Name: 4-formyl-2-[4-(sulfomethylamino)phenyl]azobenzenesulfonic acid IUPAC Name: 4-formyl-2-[[4-(sulfomethylamino)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-formyl-2-[4-(sulfomethylamino)phenyl]azo-besylic acid Formula: C14H13N3O7S2 MolecularWeight: 399.39892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)O)N=NC2=C(C=CC(=C2)C=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)O)N=NC2=C(C=CC(=C2)C=O)S(=O)(=O)O

InChI

InChI=1S/C14H13N3O7S2/c18-8-10-1-6-14(26(22,23)24)13(7-10)17-16-12-4-2-11(3-5-12)15-9-25(19,20)21/h1-8,15H,9H2,(H,19,20,21)(H,22,23,24)