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
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Found 14 results

Search term: RZJSCADWIWNGKI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
91692

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
C26H32O3392.5305415706
312539

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3
C26H32O3392.5305111300
17460783

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20?,21?,22?,23?,25-,26-/m0/s1
C26H32O3392.53055100
10046571

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21+,22-,23+,25+,26+/m1/s1
C26H32O3392.53053200
10046572

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21+,22+,23+,25+,26+/m1/s1
C26H32O3392.53052100
10046573

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22+,23-,25-,26-/m0/s1
C26H32O3392.53052100
8538581

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20?,21?,22?,23-,25-,26-/m0/s1
C26H32O3392.53052100
62293318

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21+,22-,23-,25-,26+/m1/s1
C26H32O3392.53052200
62634919

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22+,23-,25+,26+/m0/s1
C26H32O3392.53052200
107445392

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23+,25-,26-/m0/s1/i11D2,23D
C26H29D3O3395.5491400
107449016

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23+,25-,26-/m0/s1
C26H32O3392.53051400
111310480

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23+,25-,26-/m1/s1/i11D2,23D
C26H29D3O3395.5491100
127383310

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21+,22+,23+,25+,26-/m1/s1
C26H32O3392.53051100

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