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 8 results

Search term: JPTUJXPTFCNGAF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4646952

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+
C36H52O3532.79634300
4943300

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28+,29+,30-,31+,32+,35+,36-/m1/s1
C36H52O3532.79633200
10044553

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28+,29-,30+,31+,32-,35+,36-/m1/s1
C36H52O3532.79632100
10044554

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28-,29+,30-,31-,32+,35-,36+/m0/s1
C36H52O3532.79632100
10044555

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28+,29-,30-,31+,32-,35+,36-/m1/s1
C36H52O3532.79632100
10044556

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28-,29+,30+,31-,32+,35-,36+/m0/s1
C36H52O3532.79632100
2050581

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3
C36H52O3532.7962799999992100
58818455

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28+,29+,30-,31+,32+,35+,36?/m1/s1
C36H52O3532.79631100

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