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: IIFQMULVPXMHCV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2107541

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H26N2O3/c25-20(26)19(8-16-12-23-18-4-2-1-3-17(16)18)24-21(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,12-15,19,23H,5-11H2,(H,24,27)(H,25,26)
C22H26N2O3366.45344321700
5456198

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H26N2O3/c25-20(26)19(8-16-12-23-18-4-2-1-3-17(16)18)24-21(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,12-15,19,23H,5-11H2,(H,24,27)(H,25,26)/t13?,14?,15?,19-,22?/m0/s1
C22H26N2O3366.45344200
5456201

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H26N2O3/c25-20(26)19(8-16-12-23-18-4-2-1-3-17(16)18)24-21(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,12-15,19,23H,5-11H2,(H,24,27)(H,25,26)/t13?,14?,15?,19-,22?/m1/s1
C22H26N2O3366.45343200
5456200

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H26N2O3/c25-20(26)19(8-16-12-23-18-4-2-1-3-17(16)18)24-21(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,12-15,19,23H,5-11H2,(H,24,27)(H,25,26)/p-1/t13?,14?,15?,19-,22?/m1/s1
C22H25N2O3365.4461100
5456197

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C22H26N2O3/c25-20(26)19(8-16-12-23-18-4-2-1-3-17(16)18)24-21(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,12-15,19,23H,5-11H2,(H,24,27)(H,25,26)/p-1/t13?,14?,15?,19-,22?/m0/s1
C22H25N2O3365.4461100

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