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 37 results

Search term: METQSPRSQINEEU (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62105


10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
C24H30O3366.49329494100659032
11266927

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3
C24H30O3366.4932182700
29789674

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24-/m1/s1
C24H30O3366.4932141800
31046276

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15+,16-,18-,20+,21-,22+,23-,24-/m0/s1
C24H30O3366.4932141400
29314816

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16-,18+,20-,21+,22-,23+,24-/m1/s1
C24H30O3366.49327400
8243029

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16?,18+,20?,21?,22-,23+,24+/m1/s1
C24H30O3366.49326500
23089530

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13?,14?,15?,16-,18?,20+,21-,22+,23-,24-/m0/s1
C24H30O3366.4932623631
58783804

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1/i5D2,8D2
C24H26D4O3370.51786800
32077047

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13?,14?,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
C24H30O3366.49325300
8126684

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13?,14?,15?,16?,18?,20?,21?,22?,23?,24-/m0/s1
C24H30O3366.49323200
68894736

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m0/s1
C24H30O3366.49323200
82963413

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21?,22-,23+,24+/m1/s1
C24H30O3366.49322200
58884459

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14?,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
C24H30O3366.49322200
62479279

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20+,21-,22-,23+,24+/m1/s1
C24H30O3366.49322200
26357031

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,18-,20-,21+,22-,23+,24+/m1/s1
C24H30O3366.49322200
8514382

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20?,21+,22-,23+,24+/m1/s1
C24H30O3366.49322100
58131914

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14?,15-,16-,18-,20-,21-,22-,23+,24+/m1/s1
C24H30O3366.49322200
128771542

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13?,14?,15?,16?,18?,20?,21?,22-,23+,24-/m1/s1
C24H30O3366.49321100
74095530

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20+,21?,22-,23+,24+/m1/s1
C24H30O3366.49321100
12

Advertisement