butyl 6-[[4-carboxy-3-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]carbonylamino]hexyl phosphate

Systemtic Name: butyl 6-[[4-carboxy-3-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]carbonylamino]hexyl phosphate Openeye Name: butyl 6-[[4-carboxy-3-(3-hydroxy-6-oxo-xanthen-9-yl)benzoyl]amino]hexyl phosphate CAS Name: butyl 6-[[[4-carboxy-3-(3-hydroxy-6-oxo-9-xanthenyl)phenyl]-oxomethyl]amino]hexyl phosphate IUPAC Name: butyl 6-[[4-carboxy-3-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]hexyl phosphate Traditional Name: butyl 6-[[4-carboxy-3-(3-hydroxy-6-keto-xanthen-9-yl)benzoyl]amino]hexyl phosphate Formula: C31H33NO10P- MolecularWeight: 610.568181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34NO10P/c1-2-3-15-40-43(38,39)41-16-7-5-4-6-14-32-30(35)20-8-11-23(31(36)37)26(17-20)29-24-12-9-21(33)18-27(24)42-28-19-22(34)10-13-25(28)29/h8-13,17-19,33H,2-7,14-16H2,1H3,(H,32,35)(H,36,37)(H,38,39)/p-1