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 12 results

Search term: RFMMMVDNIPUKGG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64077


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
C7H11NO5189.16591403871636
180

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
C7H11NO5189.16591151161555
1272049

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1
C7H11NO5189.16598253014
24532132

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1/i2D2,3D2,5D
C7H6D5NO5194.1967121200
1266066

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-2/t5-/m0/s1
C7H9NO5187.1512868622
24532133

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1/i2D2,3D2,5D
C7H6D5NO5194.19677800
10626897

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-2
C7H9NO5187.15125739712
77494405

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/i2D2,3D2,5D
C7H6D5NO5194.19684300
57267807

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1/i5D
C7H10DNO5190.17213100
1272048

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-2/t5-/m1/s1
C7H9NO5187.15122100
21864871

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-1/t5-/m0/s1
C7H10NO5188.15851100
114394347

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1/i2T,3T/t2?,3?,5-
C7H9T2NO5193.18221100

Advertisement