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 6 results

Search term: XCTWLIUNPSHBSS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
135874

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16N4O3/c1-2-3-6-16(15-19)8-12(18)9-4-5-11(17)10(7-9)14-13/h4-5,7,12,18H,2-3,6,8H2,1H3
C12H16N4O3264.2804101500
115140

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16N4O3/c1-2-3-6-16(15-19)8-12(18)9-4-5-11(17)10(7-9)14-13/h4-5,7,12,18H,2-3,6,8H2,1H3/t12-/m0/s1
C12H16N4O3264.28045400
119530

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16N4O3/c1-2-3-6-16(15-19)8-12(18)9-4-5-11(17)10(7-9)14-13/h4-5,7,12,18H,2-3,6,8H2,1H3/t12-/m1/s1
C12H16N4O3264.28045500
119531

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16N4O3/c1-2-3-6-16(15-19)8-12(18)9-4-5-11(17)10(7-9)14-13/h4-5,7,12,18H,2-3,6,8H2,1H3/p+1/t12-/m1/s1
C12H17N4O3265.28782200
115141

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16N4O3/c1-2-3-6-16(15-19)8-12(18)9-4-5-11(17)10(7-9)14-13/h4-5,7,12,18H,2-3,6,8H2,1H3/p+1/t12-/m0/s1
C12H17N4O3265.28782200
135875

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16N4O3/c1-2-3-6-16(15-19)8-12(18)9-4-5-11(17)10(7-9)14-13/h4-5,7,12,18H,2-3,6,8H2,1H3/p+1
C12H17N4O3265.28782200

Advertisement