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: FBOIBFWCHWNBOE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943626

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H26O7/c1-10(9-23)6-7-15(25)22(4)12(3)29-21-16-13(8-14(24)17(21)22)19(27)20(28-5)11(2)18(16)26/h6,8,12,15,23-25H,7,9H2,1-5H3/b10-6+
C22H26O7402.43766500
9255068

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H26O7/c1-10(9-23)6-7-15(25)22(4)12(3)29-21-16-13(8-14(24)17(21)22)19(27)20(28-5)11(2)18(16)26/h6,8,12,15,23-25H,7,9H2,1-5H3/b10-6-/t12-,15-,22-/m1/s1
C22H26O7402.43764400
9604428

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H26O7/c1-10(9-23)6-7-15(25)22(4)12(3)29-21-16-13(8-14(24)17(21)22)19(27)20(28-5)11(2)18(16)26/h6,8,12,15,23-25H,7,9H2,1-5H3/b10-6+/t12-,15-,22-/m1/s1
C22H26O7402.43764400
8651621

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H26O7/c1-10(9-23)6-7-15(25)22(4)12(3)29-21-16-13(8-14(24)17(21)22)19(27)20(28-5)11(2)18(16)26/h6,8,12,15,23-25H,7,9H2,1-5H3/b10-6-
C22H26O7402.43763100
59701398

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H26O7/c1-10(9-23)6-7-15(25)22(4)12(3)29-21-16-13(8-14(24)17(21)22)19(27)20(28-5)11(2)18(16)26/h6,8,12,15,23-25H,7,9H2,1-5H3/b10-6+/t12-,15+,22-/m1/s1
C22H26O7402.43762100
78436169

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H26O7/c1-10(9-23)6-7-15(25)22(4)12(3)29-21-16-13(8-14(24)17(21)22)19(27)20(28-5)11(2)18(16)26/h6,8,12,15,23-25H,7,9H2,1-5H3/b10-6+/t12-,15?,22-/m0/s1
C22H26O7402.43761100

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