RK-1

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H40N4O2S2
Molecular Weight	744.965
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=C(\C=C(/C#N)C(O)=O)C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=MEMLSWBPSUCWAA-ZONNCAFXSA-N

InChI=1S/C46H40N4O2S2/c1-2-3-4-5-6-9-14-35-30-42(41-28-27-40(43-44(41)49-54-48-43)33-21-19-32(20-22-33)29-36(31-47)46(51)52)53-45(35)34-23-25-39(26-24-34)50(37-15-10-7-11-16-37)38-17-12-8-13-18-38/h7-8,10-13,15-30H,2-6,9,14H2,1H3,(H,51,52)/b36-29+

HIDE SMILES / InChI

Molecular Formula	C46H40N4O2S2
Molecular Weight	744.965
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:19:33 GMT 2025` Edited by `admin` on `Wed Apr 02 06:19:33 GMT 2025`
Record UNII	V34O8SD1BF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RK-1

Common Name

English

SENSIDIZER RK1

Preferred Name

English

(2E)-2-CYANO-3-(4-(7-(5-(4-(DIPHENYLAMINO)PHENYL)-4-OCTYL-2-THIENYL)-2,1,3-BENZOTHIADIAZOL-4-YL)PHENYL)-2-PROPENOIC ACID

Systematic Name

English

RK1 DYE [MI]

Common Name

English

2-PROPENOIC ACID, 2-CYANO-3-(4-(7-(5-(4-(DIPHENYLAMINO)PHENYL)-4-OCTYL-2-THIENYL)-2,1,3-BENZOTHIADIAZOL-4-YL)PHENYL)-, (2E)-

Systematic Name

English

2-CYANO-3-(4-(7-(5-(4-(DIPHENYLAMINO)PHENYL)-4-OCTYLTHIOPHEN-2-YL)BENZO(C)(1,2,5)THIADIAZOL-4-YL)PHENYL)ACRYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

89567440