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 4 results

Search term: KUMXVBFFVVLQFX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19978587

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)/t4-,5-,9-/m0/s1
C9H16N6O4272.26117600
102981

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)/b11-7-/t4-,5-,9-/m0/s1
C9H16N6O4272.26112200
9718395

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)/b11-7-/t4-,5-,9?/m0/s1
C9H16N6O4272.26112100
35013654

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)
C9H16N6O4272.26111100

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