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 4 results

Search term: BPOGVRRZQFYZKP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22937939

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C34H34N2O9/c1-41-26-14-10-24(11-15-26)34(23-7-5-4-6-8-23,25-12-16-27(42-2)17-13-25)44-21-29-28(37)19-30(45-29)36-20-22(9-18-31(38)43-3)32(39)35-33(36)40/h4-18,20,28-30,37H,19,21H2,1-3H3,(H,35,39,40)/b18-9+/t28-,29+,30+/m0/s1
C34H34N2O9614.6418131000
29788990

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C34H34N2O9/c1-41-26-14-10-24(11-15-26)34(23-7-5-4-6-8-23,25-12-16-27(42-2)17-13-25)44-21-29-28(37)19-30(45-29)36-20-22(9-18-31(38)43-3)32(39)35-33(36)40/h4-18,20,28-30,37H,19,21H2,1-3H3,(H,35,39,40)/b18-9+/t28?,29-,30-/m1/s1
C34H34N2O9614.64181100
111308549

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C34H34N2O9/c1-41-26-14-10-24(11-15-26)34(23-7-5-4-6-8-23,25-12-16-27(42-2)17-13-25)44-21-29-28(37)19-30(45-29)36-20-22(9-18-31(38)43-3)32(39)35-33(36)40/h4-18,20,28-30,37H,19,21H2,1-3H3,(H,35,39,40)/b18-9+/t28-,29-,30-/m0/s1
C34H34N2O9614.64181100
113618830

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C34H34N2O9/c1-41-26-14-10-24(11-15-26)34(23-7-5-4-6-8-23,25-12-16-27(42-2)17-13-25)44-21-29-28(37)19-30(45-29)36-20-22(9-18-31(38)43-3)32(39)35-33(36)40/h4-18,20,28-30,37H,19,21H2,1-3H3,(H,35,39,40)/b18-9+/t28-,29-,30-/m1/s1
C34H34N2O9614.64181100

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