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 5 results

Search term: RPAJSBKBKSSMLJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2006073

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
C5H10ClNO4183.59028067027
8408

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H
C5H10ClNO4183.59026672085
21475583

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m1./s1
C5H10ClNO4183.59027401
24774741

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/p-2/t3-;/m0./s1
C5H8ClNO4181.575411016
9804455

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1/i2+1;
C413CH10ClNO4184.58291200

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