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: YZPUIHVHPSUCHD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
231031

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)
C9H12O4184.1892624904
688644

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/t6-,7-/m1/s1
C9H12O4184.189212800
688645

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/t6-,7-/m0/s1
C9H12O4184.18925100
5023848

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m1/s1
C9H12O4184.18925300
688646

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m0/s1
C9H12O4184.18923100
60601974

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/t6?,7-/m1/s1
C9H12O4184.18923300
5663720

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/p-2/t6-,7+/m0/s1
C9H10O4182.17441100
5663721

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/p-2/t6-,7-/m1/s1
C9H10O4182.17441100
5663722

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/p-2/t6-,7-/m0/s1
C9H10O4182.17441100
5663723

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)/p-2/t6-,7+/m1/s1
C9H10O4182.17441100

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