Xylenol orange

Molecular Formula: C31H32N2O13S


InChI: InChI=1/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)/f/h34,36,38,40H

InChIKey: InChIKey=ORZHVTYKPFFVMG-KHRBLBNFCP
SMILES: CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)C)CN(CC(=O)O)CC(=O)O)O

Names:
    Acetic acid, (3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-m-phenylene)methylenenitrilo))tetra-, S,S-dioxide (8CI)
    EINECS 216-553-8
    m-Cresolphthalexon S
    NSC 324982
    o-Cresolphthalexon S
    Xylenol orange
    1611-35-4
    2-[[5-[9-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-7,7-dioxo-8-oxa-7λ6-thiabicyclo[4.3.0]nona-1,3,5-trien-9-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid
    3,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein
    59764-31-7
    6905-79-9

Registries:
    PubChem CID 73041
    PubChem ID 215282