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 18 results

Search term: HSIBGVUMFOSJPD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
170667

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
C20H26N2O310.43324246259225
322453

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3
C20H26N2O310.43321618200
390635

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1
C20H26N2O310.4332151400
59172

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12?,13-,17-,20-/m0/s1
C20H26N2O310.43324300
281015

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17?,20?/m0/s1
C20H26N2O310.43323300
8080443

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17?,20?/m0/s1
C20H26N2O310.43322100
8171197

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1/i5D
C20H25DN2O311.43942100
8216798

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1/i10T
C20H25TN2O312.44132200
8443017

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1/i4T
C20H25TN2O312.44132200
8601025

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1/i4D
C20H25DN2O311.43942100
9897775

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1/i5T
C20H25TN2O312.44132200
58843061

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17-,20-/m0/s1
C20H26N2O310.43321100
74172633

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20+/m0/s1
C20H26N2O310.43321100
78362245

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17?,20?/m1/s1
C20H26N2O310.43321100
107448209

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1/i6D2,7D2
C20H22D4N2O314.45791100
113610954

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20-/m1/s1
C20H26N2O310.43321100
114392971

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12?,13-,17-,20-/m0/s1/i2D3
C20H23D3N2O313.45171100
128920001

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/p+1/t12-,13+,17+,20+/m1/s1
C20H27N2O311.44061100

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