METHYLTHYMOL BLUE FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H44N2O13S
Molecular Weight	756.816
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYLTHYMOL BLUE FREE ACID

Structure Search

SMILES

CC(C)C1=CC(=C(C)C(CN(CC(O)=O)CC(O)=O)=C1O)C2(OS(=O)(=O)C3=C2C=CC=C3)C4=C(C)C(CN(CC(O)=O)CC(O)=O)=C(O)C(=C4)C(C)C

InChI

InChIKey=KIHCHVIVBXSLBU-UHFFFAOYSA-N

InChI=1S/C37H44N2O13S/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)

HIDE SMILES / InChI

Molecular Formula	C37H44N2O13S
Molecular Weight	756.816
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:37:28 GMT 2025` Edited by `admin` on `Mon Mar 31 22:37:28 GMT 2025`
Record UNII	5FIM5R8VJ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLTHYMOL BLUE ACID FORM

Preferred Name

English

METHYLTHYMOL BLUE FREE ACID

Common Name

English

METHYLTHYMOL BLUE [MI]

Common Name

English

GLYCINE, N,N'-((1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS((6-HYDROXY-2-METHYL-5-(1-METHYLETHYL)-3,1-PHENYLENE)METHYLENE))BIS(N-(CARBOXYMETHYL)-

Systematic Name

English

THYMOLPHTHALEXON S

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30862794