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: XAEWTDMGFGHWFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
90094

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
C7H12N2O5204.18063333212
377195

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)
C7H12N2O5204.18062321116058
5362971

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/p-1/t3-,4-/m0/s1
C7H11N2O5203.17323300
37052227

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4?/m1/s1
C7H12N2O5204.18062200
37052254

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4?/m0/s1
C7H12N2O5204.18062200
78273338

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m1/s1
C7H12N2O5204.18061100
78316003

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/p-1/t3-,4+/m0/s1
C7H11N2O5203.17321100
120947097

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3?,4-/m0/s1
C7H12N2O5204.18061100

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