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 9 results

Search term: JBTRSWYBSZRTOK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4644369

Double-bond stereo

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+/t22?,23-,24?,25?,26?,27?,28?,29+/m1/s1
C29H40O3436.62614300
10061269

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+/t22-,23-,24-,25+,26-,27-,28-,29+/m1/s1
C29H40O3436.62612100
10061270

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+/t22-,23-,24-,25+,26-,27+,28-,29+/m1/s1
C29H40O3436.62612100
10061271

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+/t22-,23+,24+,25-,26+,27+,28+,29-/m0/s1
C29H40O3436.62612100
10061272

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+/t22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
C29H40O3436.62612100
4217607

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3
C29H40O3436.62612100
62624201

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+/t22-,23+,24+,25-,26+,27+,28+,29+/m0/s1
C29H40O3436.62612200
10482404

Double-bond stereo

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/t22?,23-,24?,25?,26?,27?,28?,29+/m1/s1
C29H40O3436.62611100
30991889

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H40O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,11,17,22-26,31H,9-10,12-16,18-19H2,1-3H3/b17-11+
C29H40O3436.62611100

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