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 16 results

Search term: XMWHRVNVKDKBRG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
391470

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1
C5H13O7P216.12633014800
30

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)
C5H13O7P216.12628112900
10246067

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/p-2/t4-,5+/m1/s1
C5H11O7P214.11156614417
10645747

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/p-2
C5H11O7P214.111536700
25033115

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m0/s1
C5H13O7P216.12632200
9141174

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i5+1
C413CH13O7P217.11892200
9173776

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i1+1,2+1,3+1,4+1,5+1
13C5H13O7P221.08962100
9184645

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i2+1,3+1,4+1
C213C3H13O7P219.10422200
9239042

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i3T/t3-,4-,5+
C5H12TO7P218.13442100
9292606

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i1+1
C413CH13O7P217.11892100
9292625

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i5+2
C414CH13O7P218.11882200
9920780

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i1+1,5+1
C313C2H13O7P218.11162200
65998233

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i1D
C5H12DO7P217.13241800
76920443

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5?/m1/s1/i1D3
C5H10D3O7P219.14481100
13181984

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5-/m0/s1/i1+1,2+1,3+1,4+1,5+1
13C5H13O7P221.08961100
13182155

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1/i3T/t3?,4-,5+
C5H12TO7P218.13441100

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