Benzenesulfonic acid, 2-[bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H38N2O9S3
Molecular Weight	750.901
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzenesulfonic acid, 2-[bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]-

Structure Search

SMILES

CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(CC)CC4=CC=CC(=C4)S(O)(=O)=O)C5=CC=CC=C5S(O)(=O)=O

InChI

InChIKey=QNOYBCOEQMOHFR-UHFFFAOYSA-N

InChI=1S/C37H38N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24,37H,3-4,25-26H2,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)

HIDE SMILES / InChI

Molecular Formula	C37H38N2O9S3
Molecular Weight	750.901
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 `Sat Dec 16 11:57:17 GMT 2023` Edited by `admin` on `Sat Dec 16 11:57:17 GMT 2023`
Record UNII	YMH9W75X7M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 2-[bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]-

Systematic Name

English

2-[Bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]benzenesulfonic acid

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

268-985-1