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 20 results

Search term: JBVVDXJXIDYDMF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31046529

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1
C25H34O7446.5333212100
23936271

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
C25H34O7446.5333161100
48063818

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21+,22+,23-,24-,25+/m0/s1
C25H34O7446.53338900
48063817

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21-,22+,23-,24-,25+/m0/s1
C25H34O7446.53337900
550043

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3
C25H34O7446.53335400
52084199

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21-,22+,23-,24-,25+/m0/s1
C25H34O7446.53333500
58785772

9 of 10 defined stereocentres - 9/10 defined

Non-standard isotope
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1/i1D3,4D2,5D2,21D
C25H26D8O7454.58263400
58785773

9 of 10 defined stereocentres - 9/10 defined

Non-standard isotope
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1/i1D3,4D2,5D2,21D
C25H26D8O7454.58263500
62481794

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15+,17-,18-,20+,21-,22-,23-,24-,25+/m0/s1
C25H34O7446.53332200
62673250

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15+,17-,18-,20+,21+,22-,23-,24-,25+/m0/s1
C25H34O7446.53332200
62676742

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18+,20+,21-,22+,23-,24-,25-/m1/s1
C25H34O7446.53332200
62688800

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15+,17-,18-,20-,21-,22-,23-,24-,25+/m0/s1
C25H34O7446.53332200
107449444

9 of 10 defined stereocentres - 9/10 defined

Non-standard isotope
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1/i1D3,4D2,5D2
C25H27D7O7453.57642200
52084204

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
C25H34O7446.53332300
8609123

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14?,15?,17-,18+,20-,21?,22?,23+,24+,25-/m1/s1
C25H34O7446.53332100
29790103

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15?,17?,18-,20?,21?,22?,23-,24-,25?/m0/s1
C25H34O7446.53331100
29790104

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15?,17+,18-,20?,21?,22?,23-,24-,25?/m0/s1
C25H34O7446.53331100
62377410

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18+,20-,21+,22+,23-,24-,25-/m1/s1
C25H34O7446.53331100
62391705

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18+,20-,21-,22+,23-,24-,25-/m1/s1
C25H34O7446.53331100
62391706

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18+,20+,21+,22+,23-,24-,25-/m1/s1
C25H34O7446.53331100

Advertisement