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 7 results

Search term: WTMDCHNWHQABOS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2161437

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H21NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-5,8-11,13-14,18-19H,6-7,12H2,(H,22,23)(H,24,25)
C21H21NO4351.39574161000
10044299

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H21NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-5,8-11,13-14,18-19H,6-7,12H2,(H,22,23)(H,24,25)/t13-,14+,18-,19+/m1/s1
C21H21NO4351.39572100
1029686

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H21NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-5,8-11,13-14,18-19H,6-7,12H2,(H,22,23)(H,24,25)/t13-,14+,18+,19+/m0/s1
C21H21NO4351.39572100
10044301

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H21NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-5,8-11,13-14,18-19H,6-7,12H2,(H,22,23)(H,24,25)/t13-,14+,18+,19+/m1/s1
C21H21NO4351.39572100
10044300

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H21NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-5,8-11,13-14,18-19H,6-7,12H2,(H,22,23)(H,24,25)/p-1/t13-,14-,18-,19-/m0/s1
C21H20NO4350.38831100
10035676

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H21NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-5,8-11,13-14,18-19H,6-7,12H2,(H,22,23)(H,24,25)/p-1/t13-,14-,18-,19-/m1/s1
C21H20NO4350.38831100
10044298

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H21NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-5,8-11,13-14,18-19H,6-7,12H2,(H,22,23)(H,24,25)/p-1/t13-,14-,18+,19-/m0/s1
C21H20NO4350.38831100

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