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 19 results

Search term: LBXIBQQYUBUMMK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10063033

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16-,21-,22+/m0/s1
C22H26N2O3366.4534161500
233898

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3
C22H26N2O3366.4534131500
9374473

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16-,21+,22-/m0/s1
C22H26N2O3366.45347300
2339609

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16+,21-,22+/m0/s1
C22H26N2O3366.453446600
4938064

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15?,16?,21?,22-/m0/s1
C22H26N2O3366.45345500
21428555

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16+,21+,22+/m0/s1
C22H26N2O3366.45343100
5516312

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16+,21+,22+/m1/s1
C22H26N2O3366.45342100
10063036

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16-,21+,22+/m0/s1
C22H26N2O3366.45342100
9835358

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15?,16?,21-,22-/m1/s1
C22H26N2O3366.45342100
5347554

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16-,21-,22-/m0/s1
C22H26N2O3366.45342100
5516311

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/p+1/t15-,16-,21+,22+/m1/s1
C22H27N2O3367.46081100
10063032

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/p+1/t15-,16+,21-,22+/m0/s1
C22H27N2O3367.46081100
5347553

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/p+1/t15-,16+,21-,22-/m0/s1
C22H27N2O3367.46081100
21220248

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/p+1/t15-,16+,21+,22+/m1/s1
C22H27N2O3367.46081100
10063034

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/p+1/t15-,16+,21+,22-/m0/s1
C22H27N2O3367.46081100
10063035

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/p+1/t15-,16+,21+,22+/m0/s1
C22H27N2O3367.46081100
122899838

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15?,16?,21-,22+/m0/s1
C22H26N2O3366.45341100
129160583

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15?,16-,21-,22+/m0/s1
C22H26N2O3366.45341100

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