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 24 results

Search term: XQFRJNBWHJMXHO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5694

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
C9H11IN2O5354.0985136198256
3559

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
C9H11IN2O5354.098541121100
10481938

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7?/m0/s1
C9H11IN2O5354.098530241266275
4925567

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5?,6-,7-/m1/s1
C9H11IN2O5354.0985222200
446970

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7-/m0/s1
C9H11IN2O5354.0985151386
2278078

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m1/s1
C9H11IN2O5354.0985115800
446473

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7-/m1/s1
C9H11IN2O5354.0985141500
96923

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i10-2
C9H11125IN2O5352.09878800
156350

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i10-4
C9H11123IN2O5350.1945500
5036486

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7-/m0/s1
C9H11IN2O5354.09855400
32770052

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6?,7+/m0/s1
C9H11IN2O5354.09855600
8196847

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i10+4
C9H11131IN2O5358.10024400
4805104

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7-/m1/s1
C9H11IN2O5354.09853200
1068506

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7+/m0/s1
C9H11IN2O5354.09853300
8060430

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5?,6-,7-/m1/s1/i10-4
C9H11123IN2O5350.1942200
62406313

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7+/m1/s1
C9H11IN2O5354.09852200
114394458

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i2T
C9H10TIN2O5356.10661100
128919553

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m1/s1/i9+1,11+1,12+1
C813CH11I15N2O5357.0781200
12

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