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 12 results

Search term: QGGRDHGCNNAWIE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
467567

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3
C29H48O3444.689691100
9038470

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,28-,29-/m1/s1
C29H48O3444.68966400
9858463

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21?,22+,23-,24+,25+,26?,28-,29-/m1/s1
C29H48O3444.68963200
10061357

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22-,23+,24+,25-,26-,28-,29-/m1/s1
C29H48O3444.68962100
10061358

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21-,22+,23-,24-,25+,26+,28+,29+/m0/s1
C29H48O3444.68962100
10061359

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22-,23-,24+,25-,26-,28-,29-/m1/s1
C29H48O3444.68962100
10061360

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21-,22+,23+,24-,25+,26+,28+,29+/m0/s1
C29H48O3444.68962100
22889587

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21?,22?,23?,24?,25?,26-,28?,29?/m1/s1
C29H48O3444.68962100
9201830

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26?,28-,29-/m1/s1
C29H48O3444.68962100
14067

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19?,21-,22?,23?,24?,25?,26+,28?,29?/m0/s1
C29H48O3444.68962200
74040115

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25?,26-,28-,29-/m1/s1
C29H48O3444.68961100
74040116

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25?,26+,28-,29-/m1/s1
C29H48O3444.68961100

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