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 6 results

Search term: GNVMYASVHYRDQY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10200442

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H44N4O3/c41-25-8-7-18-40-24(9-10-25)21-35-23-39-17-6-4-2-1-3-5-15-36(43,34(35)40)22-29(30(35)14-19-39)32-33-27(13-16-37-32)28-20-26(42)11-12-31(28)38-33/h1,3,11-13,16,20,22,24,30,34,38,42-43H,2,4-10,14-15,17-19,21,23H2/b3-1-/t24-,30-,34+,35-,36-/m0/s1
C36H44N4O3580.75966624
9596752

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C36H44N4O3/c41-25-8-7-18-40-24(9-10-25)21-35-23-39-17-6-4-2-1-3-5-15-36(43,34(35)40)22-29(30(35)14-19-39)32-33-27(13-16-37-32)28-20-26(42)11-12-31(28)38-33/h1,3,11-13,16,20,22,24,30,34,38,42-43H,2,4-10,14-15,17-19,21,23H2/b3-1-/t24-,30?,34+,35-,36-/m0/s1
C36H44N4O3580.75965400
4440568

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C36H44N4O3/c41-25-8-7-18-40-24(9-10-25)21-35-23-39-17-6-4-2-1-3-5-15-36(43,34(35)40)22-29(30(35)14-19-39)32-33-27(13-16-37-32)28-20-26(42)11-12-31(28)38-33/h1,3,11-13,16,20,22,24,30,34,38,42-43H,2,4-10,14-15,17-19,21,23H2/b3-1-/t24?,30-,34+,35-,36-/m0/s1
C36H44N4O3580.7595599999982200
21432765

Charge

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C36H44N4O3/c41-25-8-7-18-40-24(9-10-25)21-35-23-39-17-6-4-2-1-3-5-15-36(43,34(35)40)22-29(30(35)14-19-39)32-33-27(13-16-37-32)28-20-26(42)11-12-31(28)38-33/h1,3,11-13,16,20,22,24,30,34,38,42-43H,2,4-10,14-15,17-19,21,23H2/p+1/b3-1-
C36H45N4O3581.7672200
24839862

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H44N4O3/c41-25-8-7-18-40-24(9-10-25)21-35-23-39-17-6-4-2-1-3-5-15-36(43,34(35)40)22-29(30(35)14-19-39)32-33-27(13-16-37-32)28-20-26(42)11-12-31(28)38-33/h1,3,11-13,16,20,22,24,30,34,38,42-43H,2,4-10,14-15,17-19,21,23H2/t24-,30-,34+,35-,36-/m0/s1
C36H44N4O3580.75961100
58107879

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H44N4O3/c41-25-8-7-18-40-24(9-10-25)21-35-23-39-17-6-4-2-1-3-5-15-36(43,34(35)40)22-29(30(35)14-19-39)32-33-27(13-16-37-32)28-20-26(42)11-12-31(28)38-33/h1,3,11-13,16,20,22,24,30,34,38,42-43H,2,4-10,14-15,17-19,21,23H2/b3-1+/t24-,30-,34+,35-,36-/m0/s1
C36H44N4O3580.75961100

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