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 44 results

Search term: MBLBDJOUHNCFQT (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1376695

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1
C8H15NO6221.207893457925467
83208

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8-/m0/s1
C8H15NO6221.207880204710434
58659

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1
C8H15NO6221.2078673262423
24541462

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m1/s1
C8H15NO6221.2078241100
304896

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)
C8H15NO6221.20782125501
18947916

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m0/s1
C8H15NO6221.2078121000
24541423

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8+/m1/s1
C8H15NO6221.20789400
32815907

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1/i2+2
C714CH15NO6223.20038600
57579225

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1/i1+1,4+1
C613C2H15NO6223.19314200
9826242

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1/i1+1,2+1,4+1,9+1
C513C3H1515NO6225.17924100
29787028

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8+/m0/s1
C8H15NO6221.20784500
21470136

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7-,8+/m0/s1
C8H15NO6221.20783205
21473511

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7-,8-/m1/s1
C8H15NO6221.20783200
62906991

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1/i9+1
C8H1515NO6222.20123200
62906993

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1/i1+1
C713CH15NO6222.20053200
44209574

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5?,6-,7-,8+/m1/s1
C8H15NO6221.20783100
29785812

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7+,8-/m1/s1
C8H15NO6221.20782100
68024863

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5?,6-,7+,8+/m0/s1
C8H15NO6221.20782700
123

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