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 9 results

Search term: GKEHVJFBPNPCKI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
397677

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1
C10H13N5O4267.2413412952
465109

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)
C10H13N5O4267.24138600
8259860

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8-/m0/s1
C10H13N5O4267.24136552
71116167

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7-,8-/m1/s1
C10H13N5O4267.24132200
107442770

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1/i1D3
C10H10D3N5O4270.25981100
111308536

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7-,8-/m0/s1
C10H13N5O4267.24131100
111312584

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m1/s1/i1D3
C10H10D3N5O4270.25981100
29788455

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6?,7-,8-/m1/s1
C10H13N5O4267.24131100
68024325

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m1/s1
C10H13N5O4267.24131100

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