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 8 results

Search term: QSUXZIPXYDQFCX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5369514

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1
C13H23NO4257.326997200
5377944

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m1/s1
C13H23NO4257.326906200
2796956

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
C13H23NO4257.32602866600
58781957

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/i4D2,5D2,6D2,7D2,8D2,9D
C13H12D11NO4268.39382200
58782282

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1/i4D2,5D2,6D2,7D2,8D2,9D
C13H12D11NO4268.39382200
107441921

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m1/s1/i4D2,5D2,6D2,7D2,8D2,9D
C13H12D11NO4268.39382400
5369513

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/p-1/t10-/m0/s1
C13H22NO4256.31861100
5377943

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/p-1/t10-/m1/s1
C13H22NO4256.31861100

Advertisement