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 26 results

Search term: NGSFWBMYFKHRBD (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6049

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
C3H5NaO3112.0597788727758309
2015136

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1
C3H5NaO3112.0598617200
9472922

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m1./s1
C3H5NaO3112.0598302800
17341025

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1/i1+1,2+1,3+1;
13C3H5NaO3115.0377212300
17341166

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1/i1+1;
C213CH5NaO3113.0524141600
17345062

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1/i3+1;
C213CH5NaO3113.052410900
24532946

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1/i1D3;
C3H2D3NaO3115.07838900
17346905

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/i3+2;
C214CH5NaO3114.052361000
28548721

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/i3+1;
C213CH5NaO3113.05246600
24533106

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/i1D3;
C3H2D3NaO3115.07835400
24532945

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1/i2D;
C3H4DNaO3113.06595800
50645728

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m1./s1/i2D;
C3H4DNaO3113.06594400
45880612

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1/i2+1;
C213CH5NaO3113.05244600
49071418

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/i1+1,2+1;
C13C2H5NaO3114.04513300
49071596

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m1./s1/i1+1;
C213CH5NaO3113.05243500
28548720

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/i1+1,2+1,3+1;
13C3H5NaO3115.03772100
24532947

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/i1D3,2D;
C3HD4NaO3116.08442400
8488577

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/i1+1;
C213CH5NaO3113.05242100
114953727

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/i2D;
C3H4DNaO3113.06592200
114566120

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m1./s1/i1D3;
C3H2D3NaO3115.07831100
12

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