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: GDECODBDFLBNHY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3257775

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H29NO3/c1-5-24-20-13-17-11-12-23-22(19(17)14-21(20)25-6-2)16-7-9-18(10-8-16)26-15(3)4/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3
C22H29NO3355.4706151100
896536

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29NO3/c1-5-24-20-13-17-11-12-23-22(19(17)14-21(20)25-6-2)16-7-9-18(10-8-16)26-15(3)4/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3/t22-/m1/s1
C22H29NO3355.47062100
896537

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29NO3/c1-5-24-20-13-17-11-12-23-22(19(17)14-21(20)25-6-2)16-7-9-18(10-8-16)26-15(3)4/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3/t22-/m0/s1
C22H29NO3355.47062100
4232408

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H29NO3/c1-5-24-20-13-17-11-12-23-22(19(17)14-21(20)25-6-2)16-7-9-18(10-8-16)26-15(3)4/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3/p+1
C22H30NO3356.47851100
5332397

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29NO3/c1-5-24-20-13-17-11-12-23-22(19(17)14-21(20)25-6-2)16-7-9-18(10-8-16)26-15(3)4/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3/p+1/t22-/m1/s1
C22H30NO3356.47851100
5332398

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29NO3/c1-5-24-20-13-17-11-12-23-22(19(17)14-21(20)25-6-2)16-7-9-18(10-8-16)26-15(3)4/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3/p+1/t22-/m0/s1
C22H30NO3356.47851100

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