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 13 results

Search term: PDKGFQJSCXMICA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5140788

7 of 11 defined stereocentres - 7/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18?,19?,20-,21+,22-,23+,24?,27+,28-,29+,30?/m1/s1
C30H40O9544.63326400
24698889

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20-,21+,22-,23+,24-,27+,28-,29+,30-/m1/s1
C30H40O9544.63323300
29416798

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20-,21+,22-,23-,24-,27+,28-,29+,30-/m1/s1
C30H40O9544.63322200
62285846

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19-,20-,21+,22-,23+,24+,27+,28-,29+,30+/m1/s1
C30H40O9544.63322200
62430798

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20+,21-,22+,23-,24-,27-,28+,29-,30-/m0/s1
C30H40O9544.63322200
62468789

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20-,21+,22-,23+,24+,27+,28-,29+,30+/m1/s1
C30H40O9544.63322200
62494932

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19-,20-,21+,22-,23+,24-,27+,28-,29+,30-/m1/s1
C30H40O9544.63322200
62530751

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29-,30-/m0/s1
C30H40O9544.63322200
62530765

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19-,20+,21-,22+,23-,24+,27-,28+,29-,30+/m0/s1
C30H40O9544.63322200
3605408

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3
C30H40O9544.6331999999992100
62394165

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20+,21-,22+,23-,24+,27-,28+,29-,30+/m0/s1
C30H40O9544.63321100
26360041

3 of 11 defined stereocentres - 3/11 defined
InChI=1/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18?,19?,20?,21?,22?,23?,24?,27-,28-,29-,30?/m0/s1
C30H40O9544.63321100

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