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 18 results

Search term: IBAQFPQHRJAVAV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390074

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
C8H17NO5207.224311114216313
46713

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2
C8H17NO5207.22434511914613
5142842

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5?,6-,7?,8-/m1/s1
C8H17NO5207.22439800
28426231

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7+,8-/m1/s1
C8H17NO5207.22436200
84400573

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1/i1D2,2D2
C8H13D4NO5211.24894400
21240829

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6-,7+,8+/m0/s1
C8H17NO5207.22433300
7970050

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5?,6-,7+,8?/m0/s1
C8H17NO5207.22432100
58784175

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5?,6?,7-,8-/m1/s1
C8H17NO5207.22432200
61320614

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6-,7-,8+/m0/s1
C8H17NO5207.22432200
61427334

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6-,7+,8-/m1/s1
C8H17NO5207.22432200
61644136

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6-,7-,8-/m1/s1
C8H17NO5207.22432100
75113668

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5?,6?,7-,8?/m0/s1
C8H17NO5207.22432300
76920455

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7+,8+/m0/s1
C8H17NO5207.22431100
114391511

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7+,8+/m1/s1
C8H17NO5207.22431100
71116571

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5?,6?,7-,8+/m1/s1
C8H17NO5207.22431100

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