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 8 results

Search term: SHGYACKFBORAQV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3443137

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2
C36H50N4O6634.805399999998201200
7819502

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2/t31-,32+
C36H50N4O6634.80542100
7819504

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2/t31-,32-/m1/s1
C36H50N4O6634.80542100
7819506

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2/t31-,32-/m0/s1
C36H50N4O6634.80542100
24814083

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2/p+4
C36H54N4O6638.8351100
7819505

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2/p+4/t31-,32-/m0/s1
C36H54N4O6638.8351100
7819503

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2/p+4/t31-,32-/m1/s1
C36H54N4O6638.8351100
7819501

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H50N4O6/c41-31(27-39-19-15-37(16-20-39)23-25-43-33-7-3-1-4-8-33)29-45-35-11-13-36(14-12-35)46-30-32(42)28-40-21-17-38(18-22-40)24-26-44-34-9-5-2-6-10-34/h1-14,31-32,41-42H,15-30H2/p+4/t31-,32+
C36H54N4O6638.8351100

Advertisement