[4-[(4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]phosphonic acid

Systemtic Name: [4-[(4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]phosphonic acid Openeye Name: [4-[(4-oxoisothiochromane-1-carbonyl)amino]phenyl]phosphonic acid CAS Name: [4-[[oxo-(4-oxo-1H-2-benzothiopyran-1-yl)methyl]amino]phenyl]phosphonic acid IUPAC Name: [4-[(4-oxo-1H-isothiochromene-1-carbonyl)amino]phenyl]phosphonic acid Traditional Name: [4-[(4-ketoisothiochroman-1-carbonyl)amino]phenyl]phosphonic acid Formula: C16H14NO5PS MolecularWeight: 363.324821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=CC=CC=C2C(S1)C(=O)NC3=CC=C(C=C3)P(=O)(O)O

Isomeric SMILES

C1C(=O)C2=CC=CC=C2C(S1)C(=O)NC3=CC=C(C=C3)P(=O)(O)O

InChI

InChI=1S/C16H14NO5PS/c18-14-9-24-15(13-4-2-1-3-12(13)14)16(19)17-10-5-7-11(8-6-10)23(20,21)22/h1-8,15H,9H2,(H,17,19)(H2,20,21,22)