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 9 results

Search term: HVWQTEPEBQYIFB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9108263

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5-,6+,7-,8+;/m0./s1
C9H16ClNO3221.6812193700
13304237

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H
C9H16ClNO3221.68127500
21257594

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5?,6?,7-,8+;/m0./s1
C9H16ClNO3221.68125500
118626

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5-,6-,7+,8-;/m1./s1
C9H16ClNO3221.681244400
76920341

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5-,6+,7-,8+;/m0./s1/i1D3;
C9H13D3ClNO3224.699731000
88298870

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5?,6-,7?,8?;/m1./s1
C9H16ClNO3221.68122100
111309491

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5?,6?,7-,8+;/m1./s1
C9H16ClNO3221.68121100
19984020

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5?,6?,7-,8?;/m0./s1
C9H16ClNO3221.681211123

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