4-[(4-sulfonatophenyl)amino]butanoate

Systemtic Name: 4-[(4-sulfonatophenyl)amino]butanoate Openeye Name: 4-(4-sulfonatoanilino)butanoate CAS Name: 4-(4-sulfonatoanilino)butanoate IUPAC Name: 4-(4-sulfonatoanilino)butanoate Traditional Name: 4-(4-sulfonatoanilino)butyrate Formula: C10H11NO5S-2 MolecularWeight: 257.26304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCC(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCCC(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C10H13NO5S/c12-10(13)2-1-7-11-8-3-5-9(6-4-8)17(14,15)16/h3-6,11H,1-2,7H2,(H,12,13)(H,14,15,16)/p-2