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 31 results

Search term: BBDAGFIXKZCXAH (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16735663

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1
C9H11N3O4225.2013635540
10439078

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2
C9H11N3O4225.2013133950
21533498

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m0/s1
C9H11N3O4225.20137500
34079755

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7?,8-/m1/s1
C9H11N3O4225.20136500
23414

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6-,7+,8-/m1/s1
C9H11N3O4225.20136400
245688

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+
C9H11N3O4225.20136500
436038

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6+,7+,8-/m1/s1
C9H11N3O4225.20133200
29368420

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/p+1/t4-,6-,7+,8-/m1/s1
C9H12N3O4226.20873300
24818442

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8?/m1/s1
C9H11N3O4225.20133300
26382763

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6+,7+,8-/m1/s1
C9H11N3O4225.201331500
26401898

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8+/m0/s1
C9H11N3O4225.20132300
29401572

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6+,7+,8-/m0/s1
C9H11N3O4225.20132200
30796683

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6+,7?,8-/m1/s1
C9H11N3O4225.20132200
34228178

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7-,8-/m1/s1
C9H11N3O4225.20132300
5028092

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6+,7-,8+/m1/s1
C9H11N3O4225.20132100
5140945

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6-,7+,8?/m1/s1
C9H11N3O4225.20132100
5429524

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6+,7+,8+/m1/s1
C9H11N3O4225.20132100
9965537

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6-,7-,8+/m1/s1
C9H11N3O4225.20132100
10044013

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6-,7+,8-/m0/s1
C9H11N3O4225.20132100
10045356

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6+,7+,8-/m0/s1
C9H11N3O4225.20132100
12

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