Xylenol Orange

Overview

IDCS-75E7CF2ED12B

CAS RN1611-35-4

Synonyms Xylenol orange
m-Cresolphthalexon S
o-Cresolphthalexon S
cresol phthalexon s
UNII-S2VDY878QD
S2VDY878QD
EINECS 216-553-8
NSC 324982
NSC-324982
XYLENOL ORANGE [MI] More…

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Identification

Molecular FormulaC31H32N2O13S

Molecular Weight672.7 g/mol

CAS Number1611-35-4

IUPAC Name

2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid

CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O

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)

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