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: BEUOECKRMVYVFQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28536303

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H29N3O6/c1-15(23(30)27-16(2)24(31)29-13-7-12-22(29)25(32)33)28-26(34)35-14-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,15-16,21-22H,7,12-14H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,16-,22-/m0/s1
C26H29N3O6479.525332000
114393079

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H29N3O6/c1-15(23(30)27-16(2)24(31)29-13-7-12-22(29)25(32)33)28-26(34)35-14-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,15-16,21-22H,7,12-14H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,16-,22+/m0/s1
C26H29N3O6479.5252200
129308266

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C26H29N3O6/c1-15(23(30)27-16(2)24(31)29-13-7-12-22(29)25(32)33)28-26(34)35-14-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,15-16,21-22H,7,12-14H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,16-,22?/m0/s1
C26H29N3O6479.5251100
68024999

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C26H29N3O6/c1-15(23(30)27-16(2)24(31)29-13-7-12-22(29)25(32)33)28-26(34)35-14-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,15-16,21-22H,7,12-14H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15?,16?,22-/m1/s1
C26H29N3O6479.5251100
110095224

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H29N3O6/c1-15(23(30)27-16(2)24(31)29-13-7-12-22(29)25(32)33)28-26(34)35-14-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,15-16,21-22H,7,12-14H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,16-,22-/m1/s1
C26H29N3O6479.5251100

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