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 20 results

Search term: XYPJAWWDSQFSQA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444811

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18+,19+,20+/m0/s1
C22H28O8420.45292211800
4444796

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18-,19-,20-/m1/s1
C22H28O8420.452928800
4945246

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10-,16-7+/t17-,18-,19-,20-/m1/s1
C22H28O8420.45295400
22913793

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18-,19-,20?/m1/s1
C22H28O8420.45295200
4941429

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10-,16-7+
C22H28O8420.45294400
57641882

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10-,16-7+/t17-,18+,19+,20+/m0/s1
C22H28O8420.45293200
88297716

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10+,16-7+/t17-,18-,19-,20+/m0/s1
C22H28O8420.45292100
8607681

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10+,16-7+/t17?,18-,19+,20-/m0/s1
C22H28O8420.45292100
90379

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3
C22H28O8420.45292100
4479015

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18+,19?,20?/m0/s1
C22H28O8420.45292200
4531547

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10+,16-7u
C22H28O8420.45292200
32773476

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10+,16-7+
C22H28O8420.45291100
57437199

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10-,16-7-
C22H28O8420.45291100
90635743

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7-/t17-,18+,19+,20+/m0/s1
C22H28O8420.45291100
113600605

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10-,16-7+/t17-,18+,19+,20+/m1/s1
C22H28O8420.45291100
113610734

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10-,16-7u/t17-,18-,19-,20+/m1/s1
C22H28O8420.45291100
58149591

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10+,16-7+/t17-,18-,19-,20-/m1/s1
C22H28O8420.45291100
58149597

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10+,16-7+/t17-,18+,19+,20+/m0/s1
C22H28O8420.45291100
65321691

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10+,16-7+/t17-,18+,19+,20+/m0/s1
C22H28O8420.45291100
65322374

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10+,16-7+/t17-,18-,19-,20-/m1/s1
C22H28O8420.45291100

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