2,3-dihydro-2,3-dihydroxyaflatoxin b1 3-chlorobenzoate (Q27293879)

UNII-XL240RV14F (English)

14 October 2016

chemical formula

C₂₄H₁₇ClO₉

1 reference

UNII-XL240RV14F (English)

14 October 2016

canonical SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C(C(OC5OC4=C1)OC(=O)C6=CC(=CC=C6)Cl)O

1 reference

UNII-XL240RV14F (English)

14 October 2016

isomeric SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]([C@@H](O[C@@H]5OC4=C1)OC(=O)C6=CC(=CC=C6)Cl)O

1 reference

UNII-XL240RV14F (English)

InChI=1S/C24H17ClO9/c1-30-13-8-14-17(20-16(13)11-5-6-12(26)15(11)22(29)32-20)18-19(27)24(34-23(18)31-14)33-21(28)9-3-2-4-10(25)7-9/h2-4,7-8,18-19,23-24,27H,5-6H2,1H3/t18-,19-,23+,24-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-XL240RV14F (English)

HMAJXTXGTZAYKC-PBIIQAGSSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-XL240RV14F (English)

14 October 2016

1 reference

UNII

XL240RV14F

2,3-dihydro-2,3-dihydroxyaflatoxin b1 3-chlorobenzoate (English)

14 October 2016

2 references

UNII-XL240RV14F (English)

matched by identifier from

14 October 2016

InChIKey

HMAJXTXGTZAYKC-PBIIQAGSSA-N

1 reference

0 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

XL240RV14F

2,3-dihydro-2,3-dihydroxyaflatoxin b1 3-chlorobenzoate (English)