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: DWKIGRRXRTZSPG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2149213

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27NO5/c1-28(2)13-19-25-18-7-5-4-6-16(18)8-10-20(25)29-27(26(19)21(30)14-28)17-9-11-22(23(12-17)33-3)34-15-24(31)32/h4-12,27,29H,13-15H2,1-3H3,(H,31,32)
C28H27NO5457.51768261700
942221

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H27NO5/c1-28(2)13-19-25-18-7-5-4-6-16(18)8-10-20(25)29-27(26(19)21(30)14-28)17-9-11-22(23(12-17)33-3)34-15-24(31)32/h4-12,27,29H,13-15H2,1-3H3,(H,31,32)/t27-/m1/s1
C28H27NO5457.51772100
942222

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H27NO5/c1-28(2)13-19-25-18-7-5-4-6-16(18)8-10-20(25)29-27(26(19)21(30)14-28)17-9-11-22(23(12-17)33-3)34-15-24(31)32/h4-12,27,29H,13-15H2,1-3H3,(H,31,32)/t27-/m0/s1
C28H27NO5457.51772100
5338530

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H27NO5/c1-28(2)13-19-25-18-7-5-4-6-16(18)8-10-20(25)29-27(26(19)21(30)14-28)17-9-11-22(23(12-17)33-3)34-15-24(31)32/h4-12,27,29H,13-15H2,1-3H3,(H,31,32)/p-1/t27-/m1/s1
C28H26NO5456.51031100
5338531

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H27NO5/c1-28(2)13-19-25-18-7-5-4-6-16(18)8-10-20(25)29-27(26(19)21(30)14-28)17-9-11-22(23(12-17)33-3)34-15-24(31)32/h4-12,27,29H,13-15H2,1-3H3,(H,31,32)/p-1/t27-/m0/s1
C28H26NO5456.51031100

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