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 12 results

Search term: VGONTNSXDCQUGY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58569

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
C10H12N4O4252.226713928711730
619

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)
C10H12N4O4252.2267166800
791651

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m1/s1
C10H12N4O4252.2267141000
17460112

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5?,6-,7-/m1/s1
C10H12N4O4252.226711800
5417206

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6-,7-/m1/s1
C10H12N4O4252.22679800
8213456

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1/i12+1
C10H12N315NO4253.22013100
588858

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7-/m1/s1
C10H12N4O4252.22673200
57267829

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1/i4+2
C914CH12N4O4254.21922100
103885112

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7-/m0/s1
C10H12N4O4252.22671100
114394337

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6-,7-/m0/s1/i4T
C10H11TN4O4254.23481100
117035441

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6-,7-/m0/s1
C10H12N4O4252.22671100

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