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: RCCMXKJGURLWPB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
87030

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)
C6H9NO4159.1444421423
388415

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
C6H9NO4159.14213931
5614824

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m1/s1
C6H9NO4159.149700
4573784

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/p-1/t4-/m0/s1
C6H8NO4158.13264700
5614823

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/p-1/t4-/m1/s1
C6H8NO4158.13261100
9674504

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1/i2D,4D/t2-,4+/m1
C6H7D2NO4161.15231100
9696357

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1/i2D/t2-,4-
C6H8DNO4160.14611100
20015738

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1
C6H7NO4157.12521100

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