4-[[3-(4-octoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[3-(4-octoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[3-(4-octoxyphenyl)-3-oxo-propanoyl]amino]benzenesulfonic acid CAS Name: 4-[[3-(4-octoxyphenyl)-1,3-dioxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-[[3-(4-octoxyphenyl)-3-oxopropanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[3-keto-3-(4-octoxyphenyl)propanoyl]amino]besylic acid Formula: C23H29NO6S MolecularWeight: 447.54446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C23H29NO6S/c1-2-3-4-5-6-7-16-30-20-12-8-18(9-13-20)22(25)17-23(26)24-19-10-14-21(15-11-19)31(27,28)29/h8-15H,2-7,16-17H2,1H3,(H,24,26)(H,27,28,29)