4-acetyloxy-3-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-acetyloxy-3-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-acetoxy-3-[2-oxo-1-(phenylcarbamoyl)propyl]azo-benzenesulfonic acid CAS Name: 4-acetyloxy-3-(1-anilino-1,3-dioxobutan-2-yl)azobenzenesulfonic acid IUPAC Name: 4-acetyloxy-3-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-acetoxy-3-[2-keto-1-(phenylcarbamoyl)propyl]azo-besylic acid Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O7S/c1-11(22)17(18(24)19-13-6-4-3-5-7-13)21-20-15-10-14(29(25,26)27)8-9-16(15)28-12(2)23/h3-10,17H,1-2H3,(H,19,24)(H,25,26,27)