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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 25 results

Search term: NJRVVFURCKKXOD (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
393520

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
C12H21NO9323.2964152400
23977293

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7-,8-,9-,10?,12-/m1/s1
C12H21NO9323.2964151400
31042962

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12-/m0/s1
C12H21NO9323.296412800
4244380

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)
C12H21NO9323.296446500
169562

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1/i14D,16D,17D,18D
C12H17D4NO9327.32115500
28421752

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10?,12+/m0/s1
C12H21NO9323.29644200
25063824

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9-,10+,12+/m0/s1
C12H21NO9323.29642200
4643104

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9-,10?,12+/m0/s1
C12H21NO9323.29642200
21473592

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7?,8-,9?,10?,12-/m0/s1
C12H21NO9323.29642100
32696910

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9-,10+,12-/m0/s1
C12H21NO9323.29642100
76714387

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12?/m0/s1
C12H21NO9323.29642200
107441267

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7-,8+,9+,10+,12+/m0/s1
C12H21NO9323.29641400
107441324

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8?,9+,10+,12-/m0/s1
C12H21NO9323.29641500
107450558

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12-/m0/s1/i1D3,5+1
C1113CH18D3NO9327.30761100
111308885

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7-,8-,9-,10?,12+/m0/s1
C12H21NO9323.29641100
111308890

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7-,8-,9-,10?,12-/m0/s1
C12H21NO9323.29641100
129180477

Charge

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/p-1/t6-,7+,8+,9+,10+,12?/m0/s1
C12H20NO9322.2891100
71116267

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7-,8-,9-,10?,12+/m1/s1
C12H21NO9323.29641100
12

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