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 22 results

Search term: PMBSWZWCNKVWLV (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92031

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29-/m1/s1
C29H46O3442.67373537025
253676

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3
C29H46O3442.6737121300
17461251

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24?,25?,27+,28+,29-/m1/s1
C29H46O3442.67379500
2035206

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22-,23?,24?,25?,27?,28-,29+/m0/s1
C29H46O3442.6737400000015400
5142911

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19?,22-,23?,24?,25?,27?,28-,29+/m0/s1
C29H46O3442.67375300
9223662

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22?,23-,24+,25+,27+,28+,29-/m1/s1
C29H46O3442.67373200
9422763

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22-,23-,24+,25+,27+,28+,29-/m1/s1
C29H46O3442.67372100
10054975

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23+,24+,25-,27-,28+,29-/m1/s1
C29H46O3442.67372100
10054976

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22-,23-,24-,25+,27+,28-,29+/m0/s1
C29H46O3442.67372100
10054977

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25-,27-,28+,29-/m1/s1
C29H46O3442.67372100
10054978

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22-,23+,24-,25+,27+,28-,29+/m0/s1
C29H46O3442.67372100
10062511

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22-,23-,24+,25+,27+,28-,29+/m0/s1
C29H46O3442.67372100
10062512

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22-,23+,24+,25+,27+,28-,29+/m0/s1
C29H46O3442.67372100
8357395

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19?,22-,23+,24-,25?,27-,28-,29+/m0/s1
C29H46O3442.67372100
22902453

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19?,22-,23?,24?,25?,27?,28?,29?/m1/s1
C29H46O3442.67372100
26950399

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23?,24+,25+,27+,28+,29-/m1/s1
C29H46O3442.67372100
58784551

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23?,24+,25+,27+,28+,29-/m1/s1/i1D3,2D3,18D
C29H39D7O3449.71692400
58817629

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29?/m1/s1
C29H46O3442.67371100
73977226

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,27?,28+,29-/m1/s1
C29H46O3442.67371100
12

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