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 17 results

Search term: WSMBXSQDFPTODV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
393163

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
C6H14O11P2324.11633147153345
29787220

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5?,6?
C6H14O11P2324.11637500
1450

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)
C6H14O11P2324.11636400
393164

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
C6H14O11P2324.116361000
26329816

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m0/s1
C6H14O11P2324.11634400
48063745

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6?/m0/s1
C6H14O11P2324.11632100
3340106

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/p-4
C6H10O11P2320.0845222700
8719472

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6+/m1/s1/i3T
C6H13TO11P2326.12442200
8743637

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m1/s1/i1T,2T/t1?,2?,3-,4-,5-,6-
C6H12T2O11P2328.13252200
8981318

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1/i1T/t1?,3-,4+,5-,6-
C6H13TO11P2326.12442100
9005247

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1/i1T/t1?,3-,4+,5+,6+/m0
C6H13TO11P2326.12442100
9028832

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/i3T/m1/s1
C6H13TO11P2326.12442200
71117062

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5+,6?/m1/s1
C6H14O11P2324.11631100
76920187

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+
C6H14O11P2324.11631100
111309254

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5+,6?/m0/s1
C6H14O11P2324.11631100

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