2,4,5-tris(chloranyl)-6-(2,7-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-3-isocyanato-benzoic acid

Systemtic Name: 2,4,5-tris(chloranyl)-6-(2,7-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-3-isocyanato-benzoic acid Openeye Name: 2,4,5-trichloro-6-(3-hydroxy-2,7-dimethyl-6-oxo-xanthen-9-yl)-3-isocyanato-benzoic acid CAS Name: 2,4,5-trichloro-6-(3-hydroxy-2,7-dimethyl-6-oxo-9-xanthenyl)-3-isocyanatobenzoic acid IUPAC Name: 2,4,5-trichloro-6-(3-hydroxy-2,7-dimethyl-6-oxoxanthen-9-yl)-3-isocyanatobenzoic acid Traditional Name: 2,4,5-trichloro-6-(3-hydroxy-6-keto-2,7-dimethyl-xanthen-9-yl)-3-isocyanato-benzoic acid Formula: C23H12Cl3NO6 MolecularWeight: 504.70348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)C)C4=C(C(=C(C(=C4Cl)Cl)N=C=O)Cl)C(=O)O

Isomeric SMILES

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)C)C4=C(C(=C(C(=C4Cl)Cl)N=C=O)Cl)C(=O)O

InChI

InChI=1S/C23H12Cl3NO6/c1-8-3-10-14(5-12(8)29)33-15-6-13(30)9(2)4-11(15)16(10)17-18(23(31)32)20(25)22(27-7-28)21(26)19(17)24/h3-6,29H,1-2H3,(H,31,32)