6-[[3-carboxy-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]carbonylamino]hexyl methyl phosphate

Systemtic Name: 6-[[3-carboxy-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]carbonylamino]hexyl methyl phosphate Openeye Name: 6-[[3-carboxy-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoyl]amino]hexyl methyl phosphate CAS Name: 6-[[[3-carboxy-2-(3-hydroxy-6-oxo-9-xanthenyl)phenyl]-oxomethyl]amino]hexyl methyl phosphate IUPAC Name: 6-[[3-carboxy-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]hexyl methyl phosphate Traditional Name: 6-[[3-carboxy-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoyl]amino]hexyl methyl phosphate Formula: C28H27NO10P- MolecularWeight: 568.488441

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)([O-])OCCCCCCNC(=O)C1=C(C(=CC=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

COP(=O)([O-])OCCCCCCNC(=O)C1=C(C(=CC=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C28H28NO10P/c1-37-40(35,36)38-14-5-3-2-4-13-29-27(32)21-7-6-8-22(28(33)34)26(21)25-19-11-9-17(30)15-23(19)39-24-16-18(31)10-12-20(24)25/h6-12,15-16,30H,2-5,13-14H2,1H3,(H,29,32)(H,33,34)(H,35,36)/p-1