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 15 results

Search term: CJQNBXFUHQZFOE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106489

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1
C23H32O5388.4972343400
504306

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)
C23H32O5388.49727700
17461045

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16?,17?,18?,19?,22-,23-/m0/s1
C23H32O5388.49724100
10046840

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17+,18+,19+,22+,23+/m1/s1
C23H32O5388.49722100
10046842

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18+,19-,22-,23-/m0/s1
C23H32O5388.49722100
217954

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17?,18?,19-,22-,23-/m1/s1
C23H32O5388.49722300
1390292

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18+,19-,22-,23+/m0/s1
C23H32O5388.49722100
10046838

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17+,18-,19+,22+,23+/m1/s1
C23H32O5388.49722100
10046839

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/p-1/t16-,17+,18+,19+,22+,23+/m1/s1
C23H31O5387.48981100
10046837

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/p-1/t16-,17+,18-,19+,22+,23+/m1/s1
C23H31O5387.48981100
1390291

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/p-1/t16-,17-,18+,19-,22-,23+/m0/s1
C23H31O5387.48981100
10046843

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/p-1/t16-,17-,18-,19-,22-,23-/m0/s1
C23H31O5387.48981100
10046841

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/p-1/t16-,17-,18+,19-,22-,23-/m0/s1
C23H31O5387.48981100
58817382

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22?,23?/m0/s1
C23H32O5388.49721100
58838881

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17+,18+,19-,22-,23-/m1/s1
C23H32O5388.49721200

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