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 11 results

Search term: XBSQQVJXPODPRW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77253

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3
C22H32O3344.487714700
34564815

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16+,17-,18-,20-,21-,22-/m0/s1
C22H32O3344.48779700
12547594

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15?,16?,17?,18?,20-,21-,22?/m0/s1
C22H32O3344.48776200
57620351

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+/m0/s1
C22H32O3344.48773200
668032

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16-,17-,18+,20+,21-,22-/m1/s1
C22H32O3344.48773300
5313306

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16-,17+,18-,20+,21-,22-/m1/s1
C22H32O3344.487682100
10044356

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16+,17-,18+,20+,21+,22+/m0/s1
C22H32O3344.48772100
10044357

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16+,17-,18+,20-,21+,22+/m0/s1
C22H32O3344.48772100
10044358

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16-,17+,18-,20-,21-,22-/m1/s1
C22H32O3344.48772100
11803245

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15?,16?,17?,18?,20-,21-,22+/m0/s1
C22H32O3344.48771100
113601620

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16+,17-,18-,20-,21-,22-/m1/s1
C22H32O3344.48771100

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