93470-31-6
1-(2-HYDROXY-JULOLIDIN-4-YL)-3-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-2-OXO-CYCLOBUTEN-4-OLATE
Name1-(2-HYDROXY-JULOLIDIN-4-YL)-3-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-2-OXO-CYCLOBUTEN-4-OLATE
1Identification
【Name】
1-(2-HYDROXY-JULOLIDIN-4-YL)-3-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-2-OXO-CYCLOBUTEN-4-OLATE
【CAS】
【MDL】
MFCD09842173
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C28 H28 N2 O4
【pro_molWeight】
456.539
【Inchi】
InChI=1S/C28H28N2O4/c31-25-17-7-3-11-29-9-1-5-15(23(17)29)13-19(25)21-27(33)22(28(21)34)20-14-16-6-2-10-30-12-4-8-18(24(16)30)26(20)32/h13-14H,1-12H2,(H2,31,32,33,34)
【InChIKey】
InChIKey=BIRZMQMHPSJLDD-UHFFFAOYSA-N
【SMILES】
c\1c2c3=[N+](CCC2)CCCc3c(/c1=C/4\C(=C(C4=O)c5cc6c7c(c5O)CCCN7CCC6)[O-])O
【MOL File】
1-(2-HYDROXY-JULOLID….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-HYDROXY-JULOLIDIN-4-YL)-3-(1,4-DIHYDRO-2-HYDROXY-JULOLIDIN-4-YLIDENE-ONIUM)-2-OXO-CYCLOBUTEN-4-OLATE.cml