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Details

Stereochemistry ACHIRAL
Molecular Formula C24H14ClN3O7S3.2Na
Molecular Weight 634.011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIRECT RED 20

SMILES

[Na+].[Na+].CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)\N=N\C4=C(C=C5C=C(C=C(Cl)C5=C4O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=SAQDWUFFHMEATC-JZYARHMISA-L
InChI=1S/C24H16ClN3O7S3.2Na/c1-12-2-7-18-19(8-12)36-24(26-18)13-3-5-15(6-4-13)27-28-22-20(38(33,34)35)10-14-9-16(37(30,31)32)11-17(25)21(14)23(22)29;;/h2-11,29H,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/b28-27+;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H14ClN3O7S3
Molecular Weight 588.032
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
6B08RLS632
Record Status Validated (UNII)
Record Version