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Details

Stereochemistry ACHIRAL
Molecular Formula C18H10Cl3NO3S
Molecular Weight 426.701
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VAT BLUE 36

SMILES

COC1=C2N\C(C(=O)C2=C(C)C(Cl)=C1)=C3\SC4=C(Cl)C=C(Cl)C=C4C3=O

InChI

InChIKey=CFDCBVJUEASQPX-NBVRZTHBSA-N
InChI=1S/C18H10Cl3NO3S/c1-6-9(20)5-11(25-2)13-12(6)16(24)14(22-13)18-15(23)8-3-7(19)4-10(21)17(8)26-18/h3-5,22H,1-2H3/b18-14+

HIDE SMILES / InChI

Molecular Formula C18H10Cl3NO3S
Molecular Weight 426.701
Charge 0
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
88P9Z5VZ5H
Record Status Validated (UNII)
Record Version