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: FQUPICCTRPWMDZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2015307

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)/t3-,5-/m0/s1
C6H9NO4159.13996321600
3405703

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)
C6H9NO4159.13996141000
24191647

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)/t3-,5-/m1/s1
C6H9NO4159.14111000
61587816

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)/t3-,5+/m0/s1
C6H9NO4159.143300
61388694

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)/t3?,5-/m1/s1
C6H9NO4159.142200
5496409

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)/p-1/t3-,5-/m0/s1
C6H8NO4158.13262200
95794305

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)/p-1
C6H8NO4158.13261100
114813007

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)/t3-,5+/m1/s1
C6H9NO4159.141100

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