Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 75 results

Search term: CZMRCDWAGMRECN-UHFFFAOYAQ (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5768


9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
C12H22O11342.2965134942465584768
167813

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
C12H22O11342.2965151360
2300244

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1
C12H22O11342.29648121700
5883717

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9+,10+,11-,12+/m1/s1
C12H22O11342.2965111100
50645812

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i3+1
C1113CH22O11343.2891101000
7973875

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6-,7+,8+,9-,10-,11-,12-/m1/s1
C12H22O11342.29658400
395106

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11?,12+/m1/s1
C12H22O11342.29658800
21241545

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6-,7+,8+,9-,10-,11-,12-/m0/s1
C12H22O11342.29655400
57268872

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
13C12H22O11354.20835800
71081640

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i2+1,3+1,5+1,7+1,10+1,12+1
C613C6H22O11348.25245900
31043322

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m0/s1
C12H22O11342.29655200
77498955

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11?,12+/m1/s1/i1D2,2D2,3D2
C12H16D6O11348.33354600
58824694

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11?,12+/m1/s1/i11+1
C1113CH22O11343.28914400
26329815

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m0/s1
C12H22O11342.29654300
26329005

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1
C12H22O11342.29654300
17596088

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
C12H22O11342.29654300
26329009

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7+,8+,9-,10+,11-,12+/m1/s1
C12H22O11342.29653400
27474417

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12-/m1/s1
C12H22O11342.29653100
123963135

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i1D2,2D2,3D2,4D,5D,6D,7D,8D,9D,10D,11D
C12H8D14O11356.38273300
74849342

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i1+1,4+1,6+1,8+1,9+1,11+1
C613C6H22O11348.25243200
1234

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