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: NYMHFYDQBMRBMB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
552843

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,24+,25+,26+,27+,28-/m0/s1
C28H46O4446.6624111100
8846416

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,24-,25+,26+,27+,28-/m0/s1
C28H46O4446.66243200
4476080

Double-bond stereo

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18?,19?,20-,21+,22?,24+,25+,26+,27?,28?/m0/s1
C28H46O4446.66242200
8519010

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21?,22?,24+,25+,26+,27+,28-/m0/s1
C28H46O4446.66242100
29216544

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19-,20+,21-,22+,24-,25-,26-,27-,28+/m1/s1
C28H46O4446.66242200
20057479

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+
C28H46O4446.66241200
24534598

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22?,24+,25+,26+,27+,28-/m0/s1
C28H46O4446.66241100

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