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 8 results

Search term: BQNMOLSYHYSCMS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
146583

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1
C27H44O4432.6359131200
3520466

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3
C27H44O4432.6358600000013300
5140762

4 of 13 defined stereocentres - 4/13 defined
InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15?,16-,17-,18-,19?,20?,21?,22?,23+,24?,25?,26?,27?/m0/s1
C27H44O4432.63593100
8540984

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19?,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1
C27H44O4432.63592100
4476026

4 of 13 defined stereocentres - 4/13 defined
InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16?,17?,18-,19?,20?,21?,22?,23?,24?,25-,26+,27?/m0/s1
C27H44O4432.63592200
4476027

3 of 13 defined stereocentres - 3/13 defined
InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25-,26+,27?/m0/s1
C27H44O4432.63592200
4478894

5 of 13 defined stereocentres - 5/13 defined
InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16?,17?,18+,19?,20?,21?,22?,23-,24?,25+,26-,27?/m1/s1
C27H44O4432.63592200
62366860

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18-,19-,20+,21-,22-,23+,24+,25-,26+,27+/m0/s1
C27H44O4432.63591100

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