2-[2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-4-(hexylcarbamoyl)benzoic acid

Systemtic Name: 2-[2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-4-(hexylcarbamoyl)benzoic acid Openeye Name: 2-(2,7-difluoro-3-hydroxy-6-oxo-xanthen-9-yl)-4-(hexylcarbamoyl)benzoic acid CAS Name: 2-(2,7-difluoro-3-hydroxy-6-oxo-9-xanthenyl)-4-[(hexylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)-4-(hexylcarbamoyl)benzoic acid Traditional Name: 2-(2,7-difluoro-3-hydroxy-6-keto-xanthen-9-yl)-4-(hexylcarbamoyl)benzoic acid Formula: C27H23F2NO6 MolecularWeight: 495.471426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)O)F

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)O)F

InChI

InChI=1S/C27H23F2NO6/c1-2-3-4-5-8-30-26(33)14-6-7-15(27(34)35)16(9-14)25-17-10-19(28)21(31)12-23(17)36-24-13-22(32)20(29)11-18(24)25/h6-7,9-13,31H,2-5,8H2,1H3,(H,30,33)(H,34,35)