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

Systemtic Name: [4-[(6-cyclohexyl-4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]phosphonic acid Openeye Name: [4-[(6-cyclohexyl-4-oxo-isothiochromane-1-carbonyl)amino]phenyl]phosphonic acid CAS Name: [4-[[(6-cyclohexyl-4-oxo-1H-2-benzothiopyran-1-yl)-oxomethyl]amino]phenyl]phosphonic acid IUPAC Name: [4-[(6-cyclohexyl-4-oxo-1H-isothiochromene-1-carbonyl)amino]phenyl]phosphonic acid Traditional Name: [4-[(6-cyclohexyl-4-keto-isothiochroman-1-carbonyl)amino]phenyl]phosphonic acid Formula: C22H24NO5PS MolecularWeight: 445.468421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)NC4=CC=C(C=C4)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)NC4=CC=C(C=C4)P(=O)(O)O

InChI

InChI=1S/C22H24NO5PS/c24-20-13-30-21(22(25)23-16-7-9-17(10-8-16)29(26,27)28)18-11-6-15(12-19(18)20)14-4-2-1-3-5-14/h6-12,14,21H,1-5,13H2,(H,23,25)(H2,26,27,28)