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: APKWXFFCGPCBBE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2150275

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H29N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h12,14H,4-11H2,1-3H3,(H,18,21)(H,20,22)/b19-13-
C17H29N3O3323.43046121000
35338914

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H29N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h12,14H,4-11H2,1-3H3,(H,18,21)(H,20,22)
C17H29N3O3323.43053200
5795852

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H29N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h12,14H,4-11H2,1-3H3,(H,18,21)(H,20,22)/b19-13-/t12?,14-/m0/s1
C17H29N3O3323.43052100
5795854

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H29N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h12,14H,4-11H2,1-3H3,(H,18,21)(H,20,22)/b19-13-/t12?,14-/m1/s1
C17H29N3O3323.43052100
62486861

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H29N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h12,14H,4-11H2,1-3H3,(H,18,21)(H,20,22)/b19-13-/t12-,14-/m1/s1
C17H29N3O3323.43051100
79952283

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H29N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-20-16(22)15(21)18-11-14-5-4-10-23-14/h12,14H,4-11H2,1-3H3,(H,18,21)(H,20,22)/t12?,14-/m1/s1
C17H29N3O3323.43051100

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