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 7 results

Search term: QODLMMIYPYLOPJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62882794

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3/t20-,21+,22+,23-,25+,26-,27+,28+/m0/s1
C28H33FO5468.5573200
396295

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3/t20-,21+,22+,23-,25+,26-,27+,28+/m0/s1/i29-1
C28H3318FO5467.55962300
10444565

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3
C28H33FO5468.5571100
23113315

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3/t20-,21?,22?,23?,25+,26-,27-,28+/m0/s1
C28H33FO5468.5571100
23113337

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3/t20-,21?,22?,23?,25+,26-,27+,28+/m0/s1
C28H33FO5468.5571100
95601834

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3/t20-,21+,22+,23-,25+,26-,27?,28+/m0/s1
C28H33FO5468.5571100
95601835

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3/t20-,21+,22+,23-,25-,26-,27+,28+/m0/s1
C28H33FO5468.5571100

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