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 8 results

Search term: MKDXZFVCXWXGBQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9123189

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4+,5+/m0/s1
C10H12BrN5O4346.137465571612
234628

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)
C10H12BrN5O4346.1374202600
23630168

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4-,5-/m1/s1
C10H12BrN5O4346.13744500
23977374

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3?,4-,5-/m1/s1
C10H12BrN5O4346.13744400
9396852

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4+,5+/m0/s1/i12+1,13+1,15+1
C10H12BrN215N3O4349.11762100
58782383

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4-,5-/m1/s1/i10+1,12+1,15+1
C913CH12BrN315N2O4349.11691100
60958918

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4-,5+/m0/s1
C10H12BrN5O4346.13741100
107442192

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4+,5+/m0/s1/i10+1,12+1,15+1
C913CH12BrN315N2O4349.11691300

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