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Details

Stereochemistry RACEMIC
Molecular Formula C18H11O3S.Na
Molecular Weight 330.333
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZY-15850A

SMILES

[Na+].[O-]C(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2C4=CC=CC=C4

InChI

InChIKey=JTWZGWYZGDMBGC-UHFFFAOYSA-M
InChI=1S/C18H12O3S.Na/c19-18(20)15-10-13-16(11-6-2-1-3-7-11)21-14-9-5-4-8-12(14)17(13)22-15;/h1-10,16H,(H,19,20);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H11O3S
Molecular Weight 307.343
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
CLF2L4EX4I
Record Status Validated (UNII)
Record Version