4-(hexylcarbamoyl)-2-[2,4,5,7-tetrakis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 4-(hexylcarbamoyl)-2-[2,4,5,7-tetrakis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 4-(hexylcarbamoyl)-2-(2,4,5,7-tetrachloro-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 4-[(hexylamino)-oxomethyl]-2-(2,4,5,7-tetrachloro-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 4-(hexylcarbamoyl)-2-(2,4,5,7-tetrachloro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 4-(hexylcarbamoyl)-2-(2,4,5,7-tetrachloro-3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C27H21Cl4NO6 MolecularWeight: 597.27074

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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=C(C(=C(C=C24)Cl)O)Cl)Cl)Cl

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Cl)O)Cl)Cl)Cl

InChI

InChI=1S/C27H21Cl4NO6/c1-2-3-4-5-8-32-26(35)12-6-7-13(27(36)37)14(9-12)19-15-10-17(28)22(33)20(30)24(15)38-25-16(19)11-18(29)23(34)21(25)31/h6-7,9-11,33H,2-5,8H2,1H3,(H,32,35)(H,36,37)