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
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Found 12 results

Search term: VPFSMXYLMDENIV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57262530

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21-,22-,23+,24-,27-/m0/s1
C27H28O9496.50585600
113618693

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21+,22-,23?,24?,27-/m0/s1
C27H28O9496.50582200
62477436

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21-,22-,23-,24+,27+/m1/s1
C27H28O9496.50582200
62477437

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21+,22+,23+,24-,27-/m0/s1
C27H28O9496.50582200
62477438

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21-,22+,23+,24-,27-/m0/s1
C27H28O9496.50582200
62477445

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21+,22+,23+,24-,27+/m0/s1
C27H28O9496.50582200
57262487

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21+,22+,23-,24+,27+/m1/s1
C27H28O9496.50582100
111308782

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21?,22+,23-,24?,27-/m0/s1
C27H28O9496.50581100
113618694

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21?,22+,23-,24?,27-/m1/s1
C27H28O9496.50581100
62377361

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21-,22+,23-,24-,27+/m1/s1
C27H28O9496.50581100
62377362

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H28O9/c1-15(17-8-9-19-13-20(33-2)11-10-18(19)12-17)25(31)36-27-23(30)21(28)22(29)24(35-27)26(32)34-14-16-6-4-3-5-7-16/h3-13,15,21-24,27-30H,14H2,1-2H3/t15-,21-,22+,23+,24-,27-/m1/s1
C27H28O9496.50581100

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