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: QDKOBLJNXLXKDU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4102404

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H29NO3/c24-20(25)10-19(9-15-4-2-1-3-5-15)21(26)23-14-22-11-16-6-17(12-22)8-18(7-16)13-22/h1-5,16-19H,6-14H2,(H,23,26)(H,24,25)
C22H29NO3355.47056181200
5651857

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H29NO3/c24-20(25)10-19(9-15-4-2-1-3-5-15)21(26)23-14-22-11-16-6-17(12-22)8-18(7-16)13-22/h1-5,16-19H,6-14H2,(H,23,26)(H,24,25)/t16?,17?,18?,19-,22?/m0/s1
C22H29NO3355.47062100
5651859

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H29NO3/c24-20(25)10-19(9-15-4-2-1-3-5-15)21(26)23-14-22-11-16-6-17(12-22)8-18(7-16)13-22/h1-5,16-19H,6-14H2,(H,23,26)(H,24,25)/t16?,17?,18?,19-,22?/m1/s1
C22H29NO3355.47062100
5651858

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H29NO3/c24-20(25)10-19(9-15-4-2-1-3-5-15)21(26)23-14-22-11-16-6-17(12-22)8-18(7-16)13-22/h1-5,16-19H,6-14H2,(H,23,26)(H,24,25)/p-1/t16?,17?,18?,19-,22?/m1/s1
C22H28NO3354.46321100
5651856

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H29NO3/c24-20(25)10-19(9-15-4-2-1-3-5-15)21(26)23-14-22-11-16-6-17(12-22)8-18(7-16)13-22/h1-5,16-19H,6-14H2,(H,23,26)(H,24,25)/p-1/t16?,17?,18?,19-,22?/m0/s1
C22H28NO3354.46321100

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