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 34 results

Search term: C4H4O5 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
945

InChI=1/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
C4H4O5132.0716157539241279
2016546

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+
C4H4O5132.07156636300
77603

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)
C4H4O5132.0716497026
389055

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1
C4H4O5132.0716465400
4957022

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m0/s1
C4H4O5132.0716141230
140981

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2
C4H4O5132.07271356919798841
10297308

Double-bond stereo
InChI=1/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-
C4H4O5132.0716131800
4573566

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
C4H4O5132.0727992826
16736161

Double-bond stereo
InChI=1/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1+
C4H4O5132.071689016
61030261

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H4O5/c5-3(6)2-1-8-4(7)9-2/h2H,1H2,(H,5,6)
C4H4O5132.07167700
389171
InChI=1/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,6-7H,(H,8,9)
C4H4O5132.07166700
9564308

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C4H4O5/c5-1-2(6)4(8)9-3(1)7/h1-2,5-6H
C4H4O5132.07166500
4573567

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m1/s1
C4H4O5132.07275400
5361637

Charge
InChI=1/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2
C4H4O5132.07275162467
21237670

Double-bond stereo
InChI=1/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)
C4H4O5132.07165400
84496802

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H4O5/c5-3(6)2-1-8-4(7)9-2/h2H,1H2,(H,5,6)/t2-/m1/s1
C4H4O5132.07164200
14838596
InChI=1/C4H4O5/c5-1-2(3(6)7)4(8)9/h1,5H,(H,6,7)(H,8,9)
C4H4O5132.07164400
27016572
InChI=1/C4H4O5/c1-9-4(8)2(5)3(6)7/h1H3,(H,6,7)
C4H4O5132.071563300
32994592
InChI=1/C4H4O5/c1-2(5)9-4(8)3(6)7/h1H3,(H,6,7)
C4H4O5132.07163300
57460310

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H4O5/c5-2-1-8-4(9-2)3(6)7/h4H,1H2,(H,6,7)
C4H4O5132.07163400
12

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