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
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Single/Multi-component
Isotopically Labeled
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Found 6 results

Search term: QFFCYTLOTYIJMR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
33716

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1
C22H30O2326.4724479300
28529571

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21?,22-/m1/s1
C22H30O2326.47243300
10442862

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3
C22H30O2326.4724210600
23115284

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18?,19?,21-,22+/m0/s1
C22H30O2326.47242200
23233243

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21?,22-/m1/s1/i5T,7T/t5?,7?,18-,19+,21?,22-
C22H28T2O2330.48861100
114814420

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21-,22-/m1/s1
C22H30O2326.47241100

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