2-fluoranyl-4-[(8-iodanyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl]benzoic acid

Systemtic Name: 2-fluoranyl-4-[(8-iodanyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl]benzoic acid Openeye Name: 2-fluoro-4-[(8-iodo-2,2,4,4-tetramethyl-chroman-6-yl)carbamoyl]benzoic acid CAS Name: 2-fluoro-4-[[(8-iodo-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-fluoro-4-[(8-iodo-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl]benzoic acid Traditional Name: 2-fluoro-4-[(8-iodo-2,2,4,4-tetramethyl-chroman-6-yl)carbamoyl]benzoic acid Formula: C21H21FINO4 MolecularWeight: 497.298613

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C(C=C(C=C21)NC(=O)C3=CC(=C(C=C3)C(=O)O)F)I)(C)C)C

Isomeric SMILES

CC1(CC(OC2=C(C=C(C=C21)NC(=O)C3=CC(=C(C=C3)C(=O)O)F)I)(C)C)C

InChI

InChI=1S/C21H21FINO4/c1-20(2)10-21(3,4)28-17-14(20)8-12(9-16(17)23)24-18(25)11-5-6-13(19(26)27)15(22)7-11/h5-9H,10H2,1-4H3,(H,24,25)(H,26,27)