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: YXCXWNFOMCGJQR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21862774

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)/b27-15-
C25H25BrN2O2465.382212800
2964667

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)
C25H25BrN2O2465.38223200
5455371

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)/t21-,22+/m0/s1
C25H25BrN2O2465.38222100
5455372

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)/t21-,22-/m1/s1
C25H25BrN2O2465.38222100
5455374

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)/t21-,22-/m0/s1
C25H25BrN2O2465.38222100
5455376

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)/t21-,22+/m1/s1
C25H25BrN2O2465.38222100
62666465

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)/b27-15-/t21-,22+/m0/s1
C25H25BrN2O2465.38222200
128945829

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)/b27-15+
C25H25BrN2O2465.38221100

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