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Details

Stereochemistry ACHIRAL
Molecular Formula C31H28N2O13S.4Na
Molecular Weight 760.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XYLENOL ORANGE TETRASODIUM

SMILES

[Na+].[Na+].[Na+].[Na+].CC1=C(O)C(CN(CC([O-])=O)CC([O-])=O)=CC(=C1)C2(OS(=O)(=O)C3=CC=CC=C23)C4=CC(C)=C(O)C(CN(CC([O-])=O)CC([O-])=O)=C4

InChI

InChIKey=YIIQUYHVWRJXEM-UHFFFAOYSA-J
InChI=1S/C31H32N2O13S.4Na/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);;;;/q;4*+1/p-4

HIDE SMILES / InChI

Approval Year

PubMed