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
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Found 8 results

Search term: XQQIMTUYVDUWKJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9120894

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9+/m0/s1
C12H13N5O3275.26333738663
94838

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9?/m0/s1
C12H13N5O3275.26336800
3458967

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2
C12H13N5O3275.263325300
29789734

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7?,8-,9-/m1/s1
C12H13N5O3275.26335400
32796877

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9-/m0/s1
C12H13N5O3275.26334200
35518758

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8-,9-/m1/s1
C12H13N5O3275.26334700
107446878

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9+/m0/s1/i3+1,4+1,7+1,8+1,9+1
C713C5H13N5O3280.22662500
114394368

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8-,9-/m1/s1/i6T
C12H12TN5O3277.27141100

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