150981-08-1
3-(2-HYDROXY-JULOLIDIN-4-YL)-5-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
Name3-(2-HYDROXY-JULOLIDIN-4-YL)-5-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
1Identification
【Name】
3-(2-HYDROXY-JULOLIDIN-4-YL)-5-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
【CAS】
【MDL】
MFCD00799308
【EnglishSynonyms】
【pro_formula】
C29 H28 N2 O5
【pro_molWeight】
484.549
【Inchi】
InChI=1S/C29H28N2O5/c32-17-11-15-3-1-7-30-9-5-19(21(13-17)25(15)30)23-27(34)24(29(36)28(23)35)20-6-10-31-8-2-4-16-12-18(33)14-22(20)26(16)31/h1-3,8,10,17-18,22,32-33H,4-7,9,11-14H2/b24-20-
【InChIKey】
InChIKey=BHXRCBYOJFOVOS-GFMRDNFCSA-N
【SMILES】
C1CN2CC=CC3=C2C(=C1C4=C(/C(=C/5\CC=[N+]6C=CCC7=C6C5CC(C7)O)/C(=O)C4=O)[O-])CC(C3)O
【MOL File】
3-(2-HYDROXY-JULOLID….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(2-HYDROXY-JULOLIDIN-4-YL)-5-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-1,2-DIOXO-CYCLOPENTEN-4-OLATE.cml