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: MNAYPFPXJFJFQO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4981677

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C39H54N4O2/c1-26(44)23-27-24-30-33(35-34-29(18-22-42(27)35)28-15-10-11-16-31(28)40-34)36(45)39-19-12-6-2-3-7-13-20-41(39)25-38(30)32-17-9-5-4-8-14-21-43(32)37(38)39/h2,6,10-11,15-16,27,30,32-33,35-37,40,45H,3-5,7-9,12-14,17-25H2,1H3/b6-2-/t27-,30-,32?,33+,35+,36-,37+,38?,39?/m0/s1
C39H54N4O2610.87172200
4981678

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C39H54N4O2/c1-26(44)23-27-24-30-33(35-34-29(18-22-42(27)35)28-15-10-11-16-31(28)40-34)36(45)39-19-12-6-2-3-7-13-20-41(39)25-38(30)32-17-9-5-4-8-14-21-43(32)37(38)39/h2,6,10-11,15-16,27,30,32-33,35-37,40,45H,3-5,7-9,12-14,17-25H2,1H3/b6-2-/t27-,30+,32?,33-,35-,36+,37-,38?,39?/m1/s1
C39H54N4O2610.87172200
21433002

Charge

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C39H54N4O2/c1-26(44)23-27-24-30-33(35-34-29(18-22-42(27)35)28-15-10-11-16-31(28)40-34)36(45)39-19-12-6-2-3-7-13-20-41(39)25-38(30)32-17-9-5-4-8-14-21-43(32)37(38)39/h2,6,10-11,15-16,27,30,32-33,35-37,40,45H,3-5,7-9,12-14,17-25H2,1H3/p+3/b6-2-
C39H57N4O2613.89382300
34559392

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C39H54N4O2/c1-26(44)23-27-24-30-33(35-34-29(18-22-42(27)35)28-15-10-11-16-31(28)40-34)36(45)39-19-12-6-2-3-7-13-20-41(39)25-38(30)32-17-9-5-4-8-14-21-43(32)37(38)39/h2,6,10-11,15-16,27,30,32-33,35-37,40,45H,3-5,7-9,12-14,17-25H2,1H3/b6-2-/t27-,30+,32?,33-,35-,36+,37-,38+,39-/m1/s1
C39H54N4O2610.87171100
34559393

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C39H54N4O2/c1-26(44)23-27-24-30-33(35-34-29(18-22-42(27)35)28-15-10-11-16-31(28)40-34)36(45)39-19-12-6-2-3-7-13-20-41(39)25-38(30)32-17-9-5-4-8-14-21-43(32)37(38)39/h2,6,10-11,15-16,27,30,32-33,35-37,40,45H,3-5,7-9,12-14,17-25H2,1H3/b6-2-/t27-,30-,32?,33+,35+,36-,37+,38-,39+/m0/s1
C39H54N4O2610.87171100

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