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: WTNDADANUZETTI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32816158

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6-/m1/s1
C9H12O6216.188191600
9195467

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6-/m0/s1
C9H12O6216.18811900
9519890

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
C9H12O6216.1887509
9075298

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-,6+/m1/s1
C9H12O6216.1883200
57577608

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6+/m0/s1
C9H12O6216.1882100
96452161

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-,6-/m1/s1
C9H12O6216.1881100
96452162

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-,6+/m0/s1
C9H12O6216.1881100
110805985

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5?,6-/m1/s1
C9H12O6216.1881100

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