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 42 results

Search term: BKZQMWNJESHHSA (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5511478

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10+,12-/m0/s1
C12H21NO9323.2964435200
8910008

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10+,12?/m0/s1
C12H21NO9323.2964364100
2628120

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)
C12H21NO9323.2964121800
30988222

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7-,8-,9-,10?,12?/m1/s1
C12H21NO9323.29647900
29303244

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8-,9+,10+,12-/m0/s1
C12H21NO9323.29647800
26571642

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9-,10+,12-/m0/s1
C12H21NO9323.29645600
9984131

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10+,12+/m0/s1
C12H21NO9323.29645500
9187913

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10-,12?/m0/s1
C12H21NO9323.29643300
5511477

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7-,8-,9-,10-,12+/m1/s1
C12H21NO9323.29643300
5511479

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7-,8-,9-,10+,12+/m1/s1
C12H21NO9323.29643300
5511480

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10-,12-/m0/s1
C12H21NO9323.29643300
23976874

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7-,8-,9-,10?,12+/m1/s1
C12H21NO9323.29643300
26563674

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7-,8+,9+,10?,12?/m1/s1
C12H21NO9323.29642200
2016956

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7-,8-,9+,10?,12+/m1/s1
C12H21NO9323.296442200
31043749

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7-,8+,9+,10+,12?/m1/s1
C12H21NO9323.29642200
62577394

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9-,10-,12+/m0/s1
C12H21NO9323.29642300
62578637

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10-,12+/m0/s1
C12H21NO9323.29642200
62578642

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9-,10-,12-/m0/s1
C12H21NO9323.29642200
21473515

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10?,12+/m0/s1
C12H21NO9323.29642200
29786810

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6?,7-,8-,9-,10?,12u/m1/s1
C12H21NO9323.29642200
123

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