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: ADTJBXOQJVMRCY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2032954

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H28O8/c1-10-7-22(10)18(28)12-13(14(26)19(22)29)21(3)6-4-5-20(2,8-11(24)25)17(21)15(27)16(12)30-9-23/h9-10,15-17,19,27,29H,4-8H2,1-3H3,(H,24,25)/t10?,15?,16-,17-,19-,20+,21+,22+/m0/s1
C22H28O8420.452928700
4405340

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C22H28O8/c1-10-7-22(10)18(28)12-13(14(26)19(22)29)21(3)6-4-5-20(2,8-11(24)25)17(21)15(27)16(12)30-9-23/h9-10,15-17,19,27,29H,4-8H2,1-3H3,(H,24,25)
C22H28O8420.452923200
5499109

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O8/c1-10-7-22(10)18(28)12-13(14(26)19(22)29)21(3)6-4-5-20(2,8-11(24)25)17(21)15(27)16(12)30-9-23/h9-10,15-17,19,27,29H,4-8H2,1-3H3,(H,24,25)/t10-,15-,16-,17-,19-,20+,21+,22+/m0/s1
C22H28O8420.45292100
5499111

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O8/c1-10-7-22(10)18(28)12-13(14(26)19(22)29)21(3)6-4-5-20(2,8-11(24)25)17(21)15(27)16(12)30-9-23/h9-10,15-17,19,27,29H,4-8H2,1-3H3,(H,24,25)/t10-,15+,16-,17-,19-,20+,21+,22+/m0/s1
C22H28O8420.45292100
110092153

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H28O8/c1-10-7-22(10)18(28)12-13(14(26)19(22)29)21(3)6-4-5-20(2,8-11(24)25)17(21)15(27)16(12)30-9-23/h9-10,15-17,19,27,29H,4-8H2,1-3H3,(H,24,25)/t10?,15?,16-,17-,19-,20+,21+,22+/m1/s1
C22H28O8420.45291100
5499110

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O8/c1-10-7-22(10)18(28)12-13(14(26)19(22)29)21(3)6-4-5-20(2,8-11(24)25)17(21)15(27)16(12)30-9-23/h9-10,15-17,19,27,29H,4-8H2,1-3H3,(H,24,25)/p-1/t10-,15+,16-,17-,19-,20+,21+,22+/m0/s1
C22H27O8419.44551100
5499108

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H28O8/c1-10-7-22(10)18(28)12-13(14(26)19(22)29)21(3)6-4-5-20(2,8-11(24)25)17(21)15(27)16(12)30-9-23/h9-10,15-17,19,27,29H,4-8H2,1-3H3,(H,24,25)/p-1/t10-,15-,16-,17-,19-,20+,21+,22+/m0/s1
C22H27O8419.44551100

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