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Details

Stereochemistry ACHIRAL
Molecular Formula C31H32N2O13S
Molecular Weight 672.656
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XYLENOL ORANGE

SMILES

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=ORZHVTYKPFFVMG-UHFFFAOYSA-N
InChI=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)

HIDE SMILES / InChI

Molecular Formula C31H32N2O13S
Molecular Weight 672.656
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
S2VDY878QD
Record Status Validated (UNII)
Record Version