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
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Found 8 results

Search term: HXTGXYRHXAGCFP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470782

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
C22H28FNO3373.4617413900
54845

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
C22H28FNO3373.4614512800
10127952

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m0/s1
C22H28FNO3373.461241800
396299

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1/i1-1
C2111CH28FNO3372.461891100
9275913

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1/i2-1
C2111CH28FNO3372.46182100
64880470

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/i1-1
C2111CH28FNO3372.46182200
78362034

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1/i10D2,13D2
C22H24D4FNO3377.48571100
129240520

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1/i23-1
C22H2818FNO3372.46361100

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