6-[[4-carboxy-3-(3-oxidanyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl)phenyl]carbonylamino]hexoxy-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: 6-[[4-carboxy-3-(3-oxidanyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl)phenyl]carbonylamino]hexoxy-oxidanyl-oxidanylidene-phosphanium Openeye Name: 6-[[4-carboxy-3-(3-hydroxy-6-oxo-8a,9-dihydroxanthen-9-yl)benzoyl]amino]hexoxy-hydroxy-oxo-phosphonium CAS Name: 6-[[[4-carboxy-3-(3-hydroxy-6-oxo-8a,9-dihydroxanthen-9-yl)phenyl]-oxomethyl]amino]hexoxy-hydroxy-oxophosphonium IUPAC Name: 6-[[4-carboxy-3-(3-hydroxy-6-oxo-8a,9-dihydroxanthen-9-yl)benzoyl]amino]hexoxy-hydroxy-oxophosphanium Traditional Name: 6-[[4-carboxy-3-(3-hydroxy-6-keto-8a,9-dihydroxanthen-9-yl)benzoyl]amino]hexoxy-hydroxy-keto-phosphonium Formula: C27H27NO9P+ MolecularWeight: 540.478341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=C2C1C(C3=C(O2)C=C(C=C3)O)C4=C(C=CC(=C4)C(=O)NCCCCCCO[P+](=O)O)C(=O)O

Isomeric SMILES

C1=CC(=O)C=C2C1C(C3=C(O2)C=C(C=C3)O)C4=C(C=CC(=C4)C(=O)NCCCCCCO[P+](=O)O)C(=O)O

InChI

InChI=1S/C27H26NO9P/c29-17-6-9-20-23(14-17)37-24-15-18(30)7-10-21(24)25(20)22-13-16(5-8-19(22)27(32)33)26(31)28-11-3-1-2-4-12-36-38(34)35/h5-10,13-15,20,25H,1-4,11-12H2,(H3-,28,30,31,32,33,34,35)/p+1