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 10 results

Search term: DCYBPMFXJCWXNB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106474

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1
C10H12N4O4252.2267292800
8168004

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1/i5D
C10H11DN4O4253.23282200
8259174

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/p+1/t5-,6+,8-,9+/m0/s1
C10H13N4O4253.23412100
8552950

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6-,8+,9-/m1/s1
C10H12N4O4252.22672100
8597800

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6-,8+,9-/m1/s1/i5D
C10H11DN4O4253.23282200
14014120

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)
C10H12N4O4252.22672100
114816596

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8+,9+/m0/s1
C10H12N4O4252.22672200
113618296

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5?,6-,8-,9-/m1/s1
C10H12N4O4252.22671100
114391696

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9-/m0/s1
C10H12N4O4252.22671100

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