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: PATZWJFBWJISFP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2114405

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3
C26H42O3402.6098800000019600
17466625

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18?,19-,20+,21?,22?,23-,24+,25-,26-/m0/s1
C26H42O3402.60994100
4495320

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16?,18?,19?,20?,21?,22?,23?,24?,25?,26-/m0/s1
C26H42O3402.60993100
5441486

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19-,20+,21+,22-,23-,24+,25-,26-/m0/s1
C26H42O3402.60993200
1395706

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18-,19-,20-,21+,22-,23+,24-,25+,26+/m1/s1
C26H42O3402.60993300
10045540

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19+,20+,21+,22+,23+,24+,25+,26-/m0/s1
C26H42O3402.60993300
10045541

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18-,19-,20+,21-,22-,23-,24-,25-,26+/m1/s1
C26H42O3402.60992100
10045542

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19+,20-,21+,22+,23+,24+,25+,26-/m0/s1
C26H42O3402.60992100
1694129

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19-,20+,21+,22-,23+,24-,25-,26-/m1/s1
C26H42O3402.60992100
5441487

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19-,20+,21-,22-,23-,24+,25-,26-/m0/s1
C26H42O3402.60992100
5441488

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,24+,25-,26-/m0/s1
C26H42O3402.60992100
5441489

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,23-,24+,25-,26-/m0/s1
C26H42O3402.60992100
10045539

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
C26H42O3402.60992100
62629448

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19+,20+,21+,22+,23+,24+,25+,26+/m0/s1
C26H42O3402.60992300
62629449

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18-,19-,20+,21-,22-,23+,24-,25-,26+/m1/s1
C26H42O3402.60992200
62629453

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18-,19+,20+,21+,22+,23-,24+,25+,26+/m0/s1
C26H42O3402.60992200
62680902

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19-,20-,21+,22-,23+,24-,25+,26+/m0/s1
C26H42O3402.60992200
21470643

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16?,18?,19?,20?,21?,22?,23?,24?,25?,26-/m1/s1
C26H42O3402.60991100
62372435

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19+,20-,21+,22+,23+,24+,25+,26+/m0/s1
C26H42O3402.60991100
62394562

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C26H42O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18-22,28-29H,5-15H2,1-4H3/t16-,18+,19+,20-,21-,22+,23-,24+,25-,26+/m1/s1
C26H42O3402.60991100

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