4-[[4-(3-oxidanylidenebutanoylamino)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[4-(3-oxidanylidenebutanoylamino)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-[4-(3-oxobutanoylamino)phenyl]azobenzenesulfonic acid CAS Name: 4-[4-(1,3-dioxobutylamino)phenyl]azobenzenesulfonic acid IUPAC Name: 4-[[4-(3-oxobutanoylamino)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-[4-(acetoacetylamino)phenyl]azobesylic acid Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H15N3O5S/c1-11(20)10-16(21)17-12-2-4-13(5-3-12)18-19-14-6-8-15(9-7-14)25(22,23)24/h2-9H,10H2,1H3,(H,17,21)(H,22,23,24)