XYLENOL ORANGE(1611-35-4) IR1
Product NameXYLENOL ORANGE
CAS1611-35-4
Molecular FormulaC31H32N2O13S
Molecular Weight672.66
InChIInChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)
InChIKey ORZHVTYKPFFVMG-UHFFFAOYSA-N
SmilesO=S1(C2=CC=CC=C2C(C2C=C(C)C(O)=C(CN(CC(=O)O)CC(=O)O)C=2)(C2C=C(C)C(O)=C(CN(CC(=O)O)CC(=O)O)C=2)O1)=O
