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Details

Stereochemistry ACHIRAL
Molecular Formula C28H27ClO4S
Molecular Weight 495.03
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-796449

SMILES

CCCC1=C(OCCCSC2=CC=C(CC(O)=O)C=C2Cl)C=CC3=C1OC=C3C4=CC=CC=C4

InChI

InChIKey=KAPDPGZDHUCILF-UHFFFAOYSA-N
InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula C28H27ClO4S
Molecular Weight 495.03
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
O937X0Z5EM
Record Status Validated (UNII)
Record Version