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: SJQRROJZPKYJQO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2964992

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22N4O3S/c1-8(2)3-5-13(11(20)17-15,6-4-10(18)19)9-7-21-12(14)16-9/h7-8H,3-6,15H2,1-2H3,(H2,14,16)(H,17,20)(H,18,19)
C13H22N4O3S314.4037814900
1269533

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H22N4O3S/c1-8(2)3-5-13(11(20)17-15,6-4-10(18)19)9-7-21-12(14)16-9/h7-8H,3-6,15H2,1-2H3,(H2,14,16)(H,17,20)(H,18,19)/t13-/m1/s1
C13H22N4O3S314.40382100
1269535

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H22N4O3S/c1-8(2)3-5-13(11(20)17-15,6-4-10(18)19)9-7-21-12(14)16-9/h7-8H,3-6,15H2,1-2H3,(H2,14,16)(H,17,20)(H,18,19)/t13-/m0/s1
C13H22N4O3S314.40382100
3856908

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22N4O3S/c1-8(2)3-5-13(11(20)17-15,6-4-10(18)19)9-7-21-12(14)16-9/h7-8H,3-6,15H2,1-2H3,(H2,14,16)(H,17,20)(H,18,19)/p+1
C13H23N4O3S315.41121100
5363223

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H22N4O3S/c1-8(2)3-5-13(11(20)17-15,6-4-10(18)19)9-7-21-12(14)16-9/h7-8H,3-6,15H2,1-2H3,(H2,14,16)(H,17,20)(H,18,19)/p-1/t13-/m1/s1
C13H21N4O3S313.39641100
5363224

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H22N4O3S/c1-8(2)3-5-13(11(20)17-15,6-4-10(18)19)9-7-21-12(14)16-9/h7-8H,3-6,15H2,1-2H3,(H2,14,16)(H,17,20)(H,18,19)/p-1/t13-/m0/s1
C13H21N4O3S313.39641100

Advertisement