[4-[(6,7-dimethyl-4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]phosphonic acid

Systemtic Name: [4-[(6,7-dimethyl-4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]phosphonic acid Openeye Name: [4-[(6,7-dimethyl-4-oxo-isothiochromane-1-carbonyl)amino]phenyl]phosphonic acid CAS Name: [4-[[(6,7-dimethyl-4-oxo-1H-2-benzothiopyran-1-yl)-oxomethyl]amino]phenyl]phosphonic acid IUPAC Name: [4-[(6,7-dimethyl-4-oxo-1H-isothiochromene-1-carbonyl)amino]phenyl]phosphonic acid Traditional Name: [4-[(4-keto-6,7-dimethyl-isothiochroman-1-carbonyl)amino]phenyl]phosphonic acid Formula: C18H18NO5PS MolecularWeight: 391.377981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=O)CSC(C2=C1)C(=O)NC3=CC=C(C=C3)P(=O)(O)O)C

Isomeric SMILES

CC1=C(C=C2C(=O)CSC(C2=C1)C(=O)NC3=CC=C(C=C3)P(=O)(O)O)C

InChI

InChI=1S/C18H18NO5PS/c1-10-7-14-15(8-11(10)2)17(26-9-16(14)20)18(21)19-12-3-5-13(6-4-12)25(22,23)24/h3-8,17H,9H2,1-2H3,(H,19,21)(H2,22,23,24)