RHODANILE BLUE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C48H48N5O3.Cl
Molecular Weight	778.379
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].CCN(CC)C1=CC=C2N=C3C(OC2=C1)=CC(=NC(=O)C4=C(C=CC=C4)C5=C6C=CC(=CC6=[O+]C7=C5C=CC(=C7)N(CC)CC)N(CC)CC)C8=CC=CC=C38

InChI

InChIKey=UYQVPCFMVWEDCA-HAIIBULWSA-M

InChI=1S/C48H48N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-30H,7-12H2,1-6H3;1H/q+1;/p-1/b50-41+;

HIDE SMILES / InChI

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

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

Molecular Formula	C48H48N5O3
Molecular Weight	742.9264
Charge	1
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 `Sat Dec 16 12:46:35 GMT 2023` Edited by `admin` on `Sat Dec 16 12:46:35 GMT 2023`
Record UNII	TW5J4YM6QX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RHODANILE BLUE

Common Name

English

NSC-326193

Code

English

Ammonium, [6-(diethylamino)-9-[o-[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]carbamoyl]phenyl]-3H-xanthen-3-ylidene]diethyl-, chloride

Systematic Name

English

Xanthylium, 3,6-bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]-, chloride (1:1)

Systematic Name

English

Ethanaminium, N-[6-(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]-3H-xanthen-3-ylidene]-N-ethyl-, chloride

Systematic Name

English

[6-(diethylamino)-9-[2-[[9-(diethylamino)-6,12-dihydrobenzo[a]phenoxazin-5-ylidene]carbamoyl]phenyl]xanthen-3-ylidene]-diethylazanium;chloride

Systematic Name

English

Code System Code Type Description

NSC

326193