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
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Found 25 results

Search term: LLPWGHLVUPBSLP (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
599777

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1
C12H16O7272.25121091302251
555496

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1
C12H16O7272.2512977500
92946

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3
C12H16O7272.2512242500
5306674

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m0/s1
C12H16O7272.25124241700
32821083

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1/i5+1
C1113CH16O7273.2439111000
32821084

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1/i4+1
C1113CH16O7273.24399900
32821092

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1/i4+1
C1113CH16O7273.24399900
32821093

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1/i6+1
C1113CH16O7273.24399900
5023125

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11+,12-/m0/s1
C12H16O7272.25127600
32821091

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1/i5+1
C1113CH16O7273.24395500
9996390

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11?,12-/m1/s1
C12H16O7272.25125300
21435669

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11?,12-/m0/s1
C12H16O7272.25124300
31043486

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12?/m1/s1
C12H16O7272.25124200
71116106

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11?,12+/m0/s1
C12H16O7272.25122300
28409266

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10?,11?,12-/m1/s1
C12H16O7272.25122200
29788334

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10?,11?,12-/m0/s1
C12H16O7272.25122300
8169015

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1/i4D
C12H15DO7273.25742200
9044879

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1/i4+1,5+1,6+1,10+1,11+1,12+1
C613C6H16O7278.20722200
9612064

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m0/s1
C12H16O7272.25122100
65793545

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1/i1D,2D,3D
C12H13D3O7275.26971100
12

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