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 5 results

Search term: SDHBGIJHOAUBBD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3426939

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C37H49N3O6/c1-26(36(44)31-10-6-4-7-11-31)40(3)24-33-22-34(30-17-15-29(25-41)16-18-30)46-37(45-33)32-19-13-28(14-20-32)23-39-35(43)12-8-5-9-21-38-27(2)42/h4,6-7,10-11,13-20,26,33-34,36-37,41,44H,5,8-9,12,21-25H2,1-3H3,(H,38,42)(H,39,43)
C37H49N3O6631.8014599999982100
5128616

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C37H49N3O6/c1-26(36(44)31-10-6-4-7-11-31)40(3)24-33-22-34(30-17-15-29(25-41)16-18-30)46-37(45-33)32-19-13-28(14-20-32)23-39-35(43)12-8-5-9-21-38-27(2)42/h4,6-7,10-11,13-20,26,33-34,36-37,41,44H,5,8-9,12,21-25H2,1-3H3,(H,38,42)(H,39,43)/t26-,33+,34-,36-,37-/m1/s1
C37H49N3O6631.80152100
5128726

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C37H49N3O6/c1-26(36(44)31-10-6-4-7-11-31)40(3)24-33-22-34(30-17-15-29(25-41)16-18-30)46-37(45-33)32-19-13-28(14-20-32)23-39-35(43)12-8-5-9-21-38-27(2)42/h4,6-7,10-11,13-20,26,33-34,36-37,41,44H,5,8-9,12,21-25H2,1-3H3,(H,38,42)(H,39,43)/t26-,33-,34+,36-,37+/m0/s1
C37H49N3O6631.80152100
5134110

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C37H49N3O6/c1-26(36(44)31-10-6-4-7-11-31)40(3)24-33-22-34(30-17-15-29(25-41)16-18-30)46-37(45-33)32-19-13-28(14-20-32)23-39-35(43)12-8-5-9-21-38-27(2)42/h4,6-7,10-11,13-20,26,33-34,36-37,41,44H,5,8-9,12,21-25H2,1-3H3,(H,38,42)(H,39,43)/t26-,33-,34+,36-,37+/m1/s1
C37H49N3O6631.80152100
5134220

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C37H49N3O6/c1-26(36(44)31-10-6-4-7-11-31)40(3)24-33-22-34(30-17-15-29(25-41)16-18-30)46-37(45-33)32-19-13-28(14-20-32)23-39-35(43)12-8-5-9-21-38-27(2)42/h4,6-7,10-11,13-20,26,33-34,36-37,41,44H,5,8-9,12,21-25H2,1-3H3,(H,38,42)(H,39,43)/t26-,33+,34-,36-,37-/m0/s1
C37H49N3O6631.80152100

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