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: YIJVJUARZXCJJP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
140586

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4-,5-/m0/s1
C8H12N2O4200.1919433400
4176342

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)
C8H12N2O4200.19188161600
24962600

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4-,5+/m1/s1
C8H12N2O4200.191911900
24973745

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4-,5+/m0/s1
C8H12N2O4200.19193300
24962492

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4-,5-/m1/s1
C8H12N2O4200.19193300
39063568

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4-,5?/m1/s1
C8H12N2O4200.19192200
50023764

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4?,5-/m0/s1
C8H12N2O4200.19191100
50023772

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4?,5-/m1/s1
C8H12N2O4200.19191100
67161255

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4-,5-/m0/s1/i/hD
C8H11DN2O4201.1981100
5730880

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/p-1/t4-,5-/m0/s1
C8H11N2O4199.18451100

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