4-[Bis[4-(diethylamino)-2-hydroxyphenyl]methyl]-1,3-benzenedisulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H34N2O8S2
Molecular Weight	578.697
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[Bis[4-(diethylamino)-2-hydroxyphenyl]methyl]-1,3-benzenedisulfonic acid

Structure Search

SMILES

CCN(CC)C1=CC=C(C(C2=CC=C(C=C2O)N(CC)CC)C3=CC=C(C=C3S(O)(=O)=O)S(O)(=O)=O)C(O)=C1

InChI

InChIKey=QTURCYIFHGKXSB-UHFFFAOYSA-N

InChI=1S/C27H34N2O8S2/c1-5-28(6-2)18-9-12-21(24(30)15-18)27(22-13-10-19(16-25(22)31)29(7-3)8-4)23-14-11-20(38(32,33)34)17-26(23)39(35,36)37/h9-17,27,30-31H,5-8H2,1-4H3,(H,32,33,34)(H,35,36,37)

HIDE SMILES / InChI

Molecular Formula	C27H34N2O8S2
Molecular Weight	578.697
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 `Tue Apr 01 19:25:25 GMT 2025` Edited by `admin` on `Tue Apr 01 19:25:25 GMT 2025`
Record UNII	D4D4BD8NS9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[Bis[4-(diethylamino)-2-hydroxyphenyl]methyl]benzene-1,3-disulfonic acid

Preferred Name

English

4-[Bis[4-(diethylamino)-2-hydroxyphenyl]methyl]-1,3-benzenedisulfonic acid

Systematic Name

English

1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)-2-hydroxyphenyl]methyl]-

Systematic Name

English

4-[Bis[4-(diethylamino)-2-hydroxyphenyl]methyl]-1,3-benzenedisulphonic acid

Systematic Name

English

4-(Bis(4-(diethylamino)-2-hydroxyphenyl)methyl)benzene-1,3-disulphonic acid

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

300-900-6