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: AJRKBXAKPJZCGJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21527108

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H24N4O3/c1-3-24(4-2)9-10-25-13-23-21-19(20(25)22)18(16-6-5-11-27-16)15-8-7-14(26)12-17(15)28-21/h5-8,11-13,18,22,26H,3-4,9-10H2,1-2H3
C21H24N4O3380.4403131000
4076563

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H24N4O3/c1-3-24(4-2)9-10-25-13-23-21-19(20(25)22)18(16-6-5-11-27-16)15-8-7-14(26)12-17(15)28-21/h5-8,11-13,18,22,26H,3-4,9-10H2,1-2H3/b22-20-
C21H24N4O3380.440263200
5956448

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N4O3/c1-3-24(4-2)9-10-25-13-23-21-19(20(25)22)18(16-6-5-11-27-16)15-8-7-14(26)12-17(15)28-21/h5-8,11-13,18,22,26H,3-4,9-10H2,1-2H3/p+1/t18-/m0/s1
C21H25N4O3381.44772100
5956450

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N4O3/c1-3-24(4-2)9-10-25-13-23-21-19(20(25)22)18(16-6-5-11-27-16)15-8-7-14(26)12-17(15)28-21/h5-8,11-13,18,22,26H,3-4,9-10H2,1-2H3/p+1/t18-/m1/s1
C21H25N4O3381.44772100
5956449

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N4O3/c1-3-24(4-2)9-10-25-13-23-21-19(20(25)22)18(16-6-5-11-27-16)15-8-7-14(26)12-17(15)28-21/h5-8,11-13,18,22,26H,3-4,9-10H2,1-2H3/p+2/t18-/m1/s1
C21H26N4O3382.4551100
5956447

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N4O3/c1-3-24(4-2)9-10-25-13-23-21-19(20(25)22)18(16-6-5-11-27-16)15-8-7-14(26)12-17(15)28-21/h5-8,11-13,18,22,26H,3-4,9-10H2,1-2H3/p+2/t18-/m0/s1
C21H26N4O3382.4551100

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