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: PKJOFEZKVJVZRS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7834016

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H46N4O6/c1-6-17-34-33(38)40-22-32-31(42-27-11-9-26(39-5)10-12-27)14-13-28(43-32)16-20-41-36-24(3)15-19-37-18-7-8-29-30(37)21-23(2)25(4)35-29/h9-14,21,28,31-32H,6-8,15-20,22H2,1-5H3,(H,34,38)/b36-24+/t28-,31-,32+/m0/s1
C33H46N4O6594.74155400
26356590

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H46N4O6/c1-6-17-34-33(38)40-22-32-31(42-27-11-9-26(39-5)10-12-27)14-13-28(43-32)16-20-41-36-24(3)15-19-37-18-7-8-29-30(37)21-23(2)25(4)35-29/h9-14,21,28,31-32H,6-8,15-20,22H2,1-5H3,(H,34,38)/b36-24+/t28-,31-,32-/m0/s1
C33H46N4O6594.74152200
28503364

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H46N4O6/c1-6-17-34-33(38)40-22-32-31(42-27-11-9-26(39-5)10-12-27)14-13-28(43-32)16-20-41-36-24(3)15-19-37-18-7-8-29-30(37)21-23(2)25(4)35-29/h9-14,21,28,31-32H,6-8,15-20,22H2,1-5H3,(H,34,38)
C33H46N4O6594.74152200
5068946

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H46N4O6/c1-6-17-34-33(38)40-22-32-31(42-27-11-9-26(39-5)10-12-27)14-13-28(43-32)16-20-41-36-24(3)15-19-37-18-7-8-29-30(37)21-23(2)25(4)35-29/h9-14,21,28,31-32H,6-8,15-20,22H2,1-5H3,(H,34,38)/t28-,31-,32+/m0/s1
C33H46N4O6594.74152100

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