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: XUPDOKFGWPFCPJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5381165

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13NO5/c1-6-2-4-7(5-3-6)12-10(15)8(13)9(14)11(16)17/h2-5,8-9,13-14H,1H3,(H,12,15)(H,16,17)/t8-,9-/m0/s1
C11H13NO5239.2246382800
2040820

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13NO5/c1-6-2-4-7(5-3-6)12-10(15)8(13)9(14)11(16)17/h2-5,8-9,13-14H,1H3,(H,12,15)(H,16,17)/t8-,9-/m1/s1
C11H13NO5239.22462352600
3782817

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C11H13NO5/c1-6-2-4-7(5-3-6)12-10(15)8(13)9(14)11(16)17/h2-5,8-9,13-14H,1H3,(H,12,15)(H,16,17)
C11H13NO5239.22462241900
5379580

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13NO5/c1-6-2-4-7(5-3-6)12-10(15)8(13)9(14)11(16)17/h2-5,8-9,13-14H,1H3,(H,12,15)(H,16,17)/p-1/t8-,9-/m1/s1
C11H12NO5238.21721100
5381164

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13NO5/c1-6-2-4-7(5-3-6)12-10(15)8(13)9(14)11(16)17/h2-5,8-9,13-14H,1H3,(H,12,15)(H,16,17)/p-1/t8-,9-/m0/s1
C11H12NO5238.21721100

Advertisement