4-Acetamido-4?-isothiocyanostilbene-2,2?-disulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H14N2O7S3
Molecular Weight	454.497
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 4-Acetamido-4?-isothiocyanostilbene-2,2?-disulfonic acid

Structure Search

SMILES

CC(=O)NC1=CC=C(C=CC2=CC=C(C=C2S(O)(=O)=O)N=C=S)C(=C1)S(O)(=O)=O

InChI

InChIKey=YJCCSLGGODRWKK-NSCUHMNNSA-N

InChI=1S/C17H14N2O7S3/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/b3-2+

HIDE SMILES / InChI

Molecular Formula	C17H14N2O7S3
Molecular Weight	454.497
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:12:43 GMT 2025` Edited by `admin` on `Tue Apr 01 20:12:43 GMT 2025`
Record UNII	EZV5SX627H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-328387

Preferred Name

English

4-Acetamido-4?-isothiocyanostilbene-2,2?-disulfonic acid

Systematic Name

English

SITS

Common Name

English

5-(Acetylamino)-2-[(1E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid

Systematic Name

English

2,2?-Stilbenedisulfonic acid, 4-acetamido-4?-isothiocyanato-

Systematic Name

English

5-(Acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid

Systematic Name

English

4-Acetamido-4?-isothiocyano-2,2?-disulfonic acid stilbene

Systematic Name

English

NSC-649691

Code

English

Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-

Systematic Name

English

2,2?-Stilbenedisulfonic acid, 4-acetamido-4?-isothiocyanato-, (E)-

Systematic Name

English

Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, (E)-

Systematic Name

English

4-Acetamido-4?-isothiocyanatostilbene-2,2?-disulfonic acid

Systematic Name

English

Code System Code Type Description

NSC

328387