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 24 results

Search term: VYUIKSFYFRVQLF (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117794

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
C28H48O5464.6777292600
9987295

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,23+,24-,25-,26-,27-,28-/m1/s1
C28H48O5464.6777181700
9136819

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,23-,24-,25-,26-,27-,28-/m1/s1
C28H48O5464.67777400
10644743

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3
C28H48O5464.677734800
9266985

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17?,18?,19+,20+,21-,23+,24-,25-,26-,27-,28-/m1/s1
C28H48O5464.67772100
9446250

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17?,18?,19?,20?,21?,23-,24+,25+,26+,27+,28+/m0/s1
C28H48O5464.67772100
9469357

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1/i1D3,3D3/t14?,15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+
C28H42D6O5470.71472200
9987294

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17?,18-,19+,20+,21?,23+,24-,25+,26+,27-,28-/m1/s1
C28H48O5464.67772100
9013168

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21?,23-,24+,25+,26+,27+,28+/m0/s1
C28H48O5464.67772100
9092852

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17?,18-,19+,20+,21?,23+,24-,25-,26-,27-,28-/m1/s1
C28H48O5464.67772100
107445299

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,23-,24+,25-,26-,27-,28-/m1/s1
C28H48O5464.67772200
107445318

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,23+,24-,25-,26-,27-,28-/m1/s1/i1D3/t14?,15-,16+,17+,18-,19+,20+,21-,23+,24-,25-,26-,27-,28-
C28H45D3O5467.69622200
111313909

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m1/s1
C28H48O5464.67771100
107445312

13 of 13 defined stereocentres - 13/13 defined

Non-standard isotope
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1/i1D3/t14?,15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+
C28H45D3O5467.69621100
24534487

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17?,18-,19?,20?,21?,23+,24-,25-,26-,27-,28-/m1/s1
C28H48O5464.67771100
24534614

2 of 13 defined stereocentres - 2/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15?,16?,17?,18?,19?,20?,21?,23-,24-,25?,26?,27?,28?/m0/s1
C28H48O5464.67771200
28282471

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17?,18+,19?,20?,21?,23-,24+,25+,26+,27+,28+/m0/s1
C28H48O5464.67771100
30792027

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19?,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
C28H48O5464.67771100
58817624

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27?,28?/m0/s1
C28H48O5464.67771100
58818123

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17-,18-,19+,20-,21-,23+,24-,25-,26-,27?,28?/m1/s1
C28H48O5464.67771100
12

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